Refined crystal structure of SrPrCoRuO6 at 300 K, P2_1/n

Download

{ 9 keys }

"id": "str:srprcoruo6.p21n.300k.iturbe2012",

"changelog": [ 1 items ],

{ 3 keys }

"timestamp": "2026-09-30T05:59:03+00:00",

"user": "perovskite-atlas/fer_export.py",

"description": "Refined structure. Generated from atlas records at git 98609f0."

}

"description": "Refined crystal structure of SrPrCoRuO6 at 300 K, P2_1/n",

"correct": true,

"state": [ 1 items ],

{ 3 keys }

"name": "temperature",

"description": "conditions of the refined structure",

"quantity_value": { 9 keys }

"id": "str:srprcoruo6.p21n.300k.iturbe2012#T",

"name": "Temperature",

"description": "Temperature of the measurement as reported (uncertainty not reported)",

"quantities": ["Temperature"],

"symbols": ["$T$"],

"units": ["K"],

"values": [ 1 items ],

[300.0]

"standard_uncertainties": [ 1 items ],

[0.0]

"atlas": { 2 keys }

"uncertainty_reported": [false],

"reported_as": ["300"]

}

"results": [ 8 items ],

{ 9 keys },

"id": "str:srprcoruo6.p21n.300k.iturbe2012#cell",

"name": "Unit cell",

"description": "Cell parameters, space group P2_1/n (No. 14)",

"quantities": ["a", "b", "c", "alpha", "beta", "gamma"],

"symbols": ["$a$", "$b$", "$c$", "$\\alpha$", "$\\beta$", "$\\gamma$"],

"units": ["Å", "Å", "Å", "°", "°", "°"],

"values": [ 6 items ],

[5.555],

[5.5608],

[7.8475],

[90.0],

[90.051],

[90.0]

"standard_uncertainties": [ 6 items ],

[0.0001],

[0.0],

[0.004],

[0.0]

"atlas": { 2 keys }

"uncertainty_reported": [true, true, true, false, true, false],

"reported_as": ["5.5550(1)", "5.5608(1)", "7.8475(1)", "90", "90.051(4)", "90"]

}

{ 9 keys },

"id": "str:srprcoruo6.p21n.300k.iturbe2012#volume",

"name": "Cell volume",

"description": "",

"quantities": ["V"],

"symbols": ["$V$"],

"units": ["Å^3"],

"values": [ 1 items ],

[242.412]

"standard_uncertainties": [ 1 items ],

[0.008]

"atlas": { 2 keys }

"uncertainty_reported": [true],

"reported_as": ["242.412(8)"]

}

{ 9 keys },

"id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:Sr/Pr",

"name": "Atom Sr/Pr (Sr, Wyckoff 4e)",

"description": "Fractional coordinates and isotropic displacement; occupancy 0.5/0.5 (Sr/Pr)",

"quantities": ["x", "y", "z", "B_iso"],

"symbols": ["$x$", "$y$", "$z$", "$B_{\\mathrm{iso}}$"],

"units": ["1", "1", "1", "Å^2"],

"values": [ 4 items ],

[-0.0067],

[0.4693],

[0.752],

[0.53]

"standard_uncertainties": [ 4 items ],

[0.0009000000000000001],

[0.0004],

[0.001],

[0.04]

"atlas": { 2 keys }

"uncertainty_reported": [true, true, true, true],

"reported_as": ["-0.0067(9)", "0.4693(4)", "0.752(1)", "0.53(4)"]

}

{ 9 keys },

"id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:O1",

"name": "Atom O1 (O, Wyckoff 4e)",

"description": "Fractional coordinates and isotropic displacement; occupancy 1",

"quantities": ["x", "y", "z", "B_iso"],

"symbols": ["$x$", "$y$", "$z$", "$B_{\\mathrm{iso}}$"],

"units": ["1", "1", "1", "Å^2"],

"values": [ 4 items ],

[-0.278],

[0.214],

[-0.0291],

[0.72]

"standard_uncertainties": [ 4 items ],

[0.001],

[0.0008],

[0.02]

"atlas": { 2 keys }

"uncertainty_reported": [true, true, true, true],

"reported_as": ["-0.278(1)", "0.214(1)", "-0.0291(8)", "0.72(2)"]

}

{ 9 keys },

"id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:O2",

"name": "Atom O2 (O, Wyckoff 4e)",

"description": "Fractional coordinates and isotropic displacement; occupancy 1",

"quantities": ["x", "y", "z", "B_iso"],

"symbols": ["$x$", "$y$", "$z$", "$B_{\\mathrm{iso}}$"],

"units": ["1", "1", "1", "Å^2"],

"values": [ 4 items ],

[-0.79],

[0.285],

[0.0381],

[0.72]

"standard_uncertainties": [ 4 items ],

[0.001],

[0.0008],

[0.02]

"atlas": { 2 keys }

"uncertainty_reported": [true, true, true, true],

"reported_as": ["-0.790(1)", "0.285(1)", "0.0381(8)", "0.72(2)"]

}

{ 9 keys },

"id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:O3",

"name": "Atom O3 (O, Wyckoff 4e)",

"description": "Fractional coordinates and isotropic displacement; occupancy 1",

"quantities": ["x", "y", "z", "B_iso"],

"symbols": ["$x$", "$y$", "$z$", "$B_{\\mathrm{iso}}$"],

"units": ["1", "1", "1", "Å^2"],

"values": [ 4 items ],

[0.0709],

[0.0109],

[0.755],

[0.72]

"standard_uncertainties": [ 4 items ],

[0.0006000000000000001],

[0.001],

[0.02]

"atlas": { 2 keys }

"uncertainty_reported": [true, true, true, true],

"reported_as": ["0.0709(6)", "0.0109(6)", "0.755(1)", "0.72(2)"]

}

{ 9 keys },

"id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:Co",

"name": "Atom Co (Co, Wyckoff 2b)",

"description": "Fractional coordinates and isotropic displacement; occupancy 1",

"quantities": ["x", "y", "z", "B_iso"],

"symbols": ["$x$", "$y$", "$z$", "$B_{\\mathrm{iso}}$"],

"units": ["1", "1", "1", "Å^2"],

"values": [ 4 items ],

[0.0],

[0.12]

"standard_uncertainties": [ 4 items ],

[0.0],

[0.02]

"atlas": { 2 keys }

"uncertainty_reported": [false, false, false, true],

"reported_as": ["0", "0", "0", "0.12(2)"]

}

{ 9 keys }

"id": "str:srprcoruo6.p21n.300k.iturbe2012#reliability",

"name": "Rietveld reliability factors",

"description": "As reported; no uncertainties",

"quantities": ["r_p", "r_wp", "r_exp", "r_bragg", "chi2"],

"symbols": ["$R_p$", "$R_{wp}$", "$R_{exp}$", "$R_{Bragg}$", "$\\chi^2$"],

"units": ["%", "%", "%", "%", "1"],

"values": [ 5 items ],

[2.26],

[2.96],

[3.84],

[3.89],

[0.6]

"standard_uncertainties": [ 5 items ],

[0.0],

[0.0]

"atlas": { 2 keys }

"uncertainty_reported": [false, false, false, false, false],

"reported_as": ["2.26", "2.96", "3.84", "3.89", "0.6"]

}

"measurands": ["unit cell", "atomic coordinates", "displacement parameters"],

"source": { 6 keys },

"id": "ref:srprcoruo6.p21n.300k.iturbe2012.all-modes",

"name": "Rietveld refinement (FullProf, symmetry-mode)",

"description": "",

"model": "Least-squares Rietveld refinement of the powder pattern; symmetry-mode parametrisation where method = symmetry-mode; variant all-modes",

"influence_quantities": [ 1 items ],

{ 9 keys }

"id": "str:srprcoruo6.p21n.300k.iturbe2012#T",

"name": "Temperature",

"description": "Temperature of the measurement as reported (uncertainty not reported)",

"quantities": ["Temperature"],

"symbols": ["$T$"],

"units": ["K"],

"values": [ 1 items ],

[300.0]

"standard_uncertainties": [ 1 items ],

[0.0]

"atlas": { 2 keys }

"uncertainty_reported": [false],

"reported_as": ["300"]

}

"input_quantities": [ 1 items ]

{ 9 keys }

"id": "dat:srprcoruo6.iturbe2012.npd.rt",

"changelog": [ 1 items ],

{ 3 keys }

"timestamp": "2026-09-30T05:59:03+00:00",

"user": "perovskite-atlas/fer_export.py",

"description": "Dataset stub. Generated from atlas records at git 98609f0."

}

"description": "NPD pattern of mat:srprcoruo6 at 300 K on D2B high-resolution neutron powder diffractometer (Institut Laue-Langevin, Grenoble)",

"correct": true,

"state": [],

"results": [],

"measurands": ["diffraction pattern"],

"source": { 6 keys },

"id": "ins:ill-d2b",

"name": "D2B high-resolution neutron powder diffractometer",

"description": "",

"model": "powder diffraction",

"influence_quantities": [],

"input_quantities": []

"atlas": { 5 keys }

"record_id": "dat:srprcoruo6.iturbe2012.npd.rt",

"status": "published",

"evidence": [ 1 items ],

{ 5 keys }

"doc": "doc:thesis-03",

"md_line": 1223,

"table": "6.1",

"status": "thesis-only",

"cell": { 1 keys }

"col": "SrPrCoRuO6"

}

"atlas_schema_version": "0.1",

"note": "raw pattern not yet attached; results are empty by design until data rescue"

}

]

"atlas": { 5 keys }

"record_id": "str:srprcoruo6.p21n.300k.iturbe2012",

"status": "published",

"evidence": [ 1 items ],

{ 5 keys }

"doc": "doc:thesis-03",

"md_line": 1223,

"table": "6.1",

"status": "thesis-only",

"cell": { 1 keys }

"col": "SrPrCoRuO6"

}

"atlas_schema_version": "0.1",

"refinement": { 4 keys }

"record_id": "ref:srprcoruo6.p21n.300k.iturbe2012.all-modes",

"status": "published",

"evidence": [ 1 items ],

{ 5 keys }

"doc": "doc:thesis-03",

"md_line": 1223,

"table": "6.1",

"status": "thesis-only",

"cell": { 1 keys }

"col": "SrPrCoRuO6"

}

"atlas_schema_version": "0.1"

}

{
  "id": "str:srprcoruo6.p21n.300k.iturbe2012",
  "changelog": [
    {
      "timestamp": "2026-09-30T05:59:03+00:00",
      "user": "perovskite-atlas/fer_export.py",
      "description": "Refined structure. Generated from atlas records at git 98609f0."
    }
  ],
  "description": "Refined crystal structure of SrPrCoRuO6 at 300 K, P2_1/n",
  "correct": true,
  "state": [
    {
      "name": "temperature",
      "description": "conditions of the refined structure",
      "quantity_value": {
        "id": "str:srprcoruo6.p21n.300k.iturbe2012#T",
        "name": "Temperature",
        "description": "Temperature of the measurement as reported (uncertainty not reported)",
        "quantities": [
          "Temperature"
        ],
        "symbols": [
          "$T$"
        ],
        "units": [
          "K"
        ],
        "values": [
          [
            300.0
          ]
        ],
        "standard_uncertainties": [
          [
            0.0
          ]
        ],
        "atlas": {
          "uncertainty_reported": [
            false
          ],
          "reported_as": [
            "300"
          ]
        }
      }
    }
  ],
  "results": [
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#cell",
      "name": "Unit cell",
      "description": "Cell parameters, space group P2_1/n (No. 14)",
      "quantities": [
        "a",
        "b",
        "c",
        "alpha",
        "beta",
        "gamma"
      ],
      "symbols": [
        "$a$",
        "$b$",
        "$c$",
        "$\\alpha$",
        "$\\beta$",
        "$\\gamma$"
      ],
      "units": [
        "Å",
        "Å",
        "Å",
        "°",
        "°",
        "°"
      ],
      "values": [
        [
          5.555
        ],
        [
          5.5608
        ],
        [
          7.8475
        ],
        [
          90.0
        ],
        [
          90.051
        ],
        [
          90.0
        ]
      ],
      "standard_uncertainties": [
        [
          0.0001
        ],
        [
          0.0001
        ],
        [
          0.0001
        ],
        [
          0.0
        ],
        [
          0.004
        ],
        [
          0.0
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true,
          true,
          false,
          true,
          false
        ],
        "reported_as": [
          "5.5550(1)",
          "5.5608(1)",
          "7.8475(1)",
          "90",
          "90.051(4)",
          "90"
        ]
      }
    },
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#volume",
      "name": "Cell volume",
      "description": "",
      "quantities": [
        "V"
      ],
      "symbols": [
        "$V$"
      ],
      "units": [
        "Å^3"
      ],
      "values": [
        [
          242.412
        ]
      ],
      "standard_uncertainties": [
        [
          0.008
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true
        ],
        "reported_as": [
          "242.412(8)"
        ]
      }
    },
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:Sr/Pr",
      "name": "Atom Sr/Pr (Sr, Wyckoff 4e)",
      "description": "Fractional coordinates and isotropic displacement; occupancy 0.5/0.5 (Sr/Pr)",
      "quantities": [
        "x",
        "y",
        "z",
        "B_iso"
      ],
      "symbols": [
        "$x$",
        "$y$",
        "$z$",
        "$B_{\\mathrm{iso}}$"
      ],
      "units": [
        "1",
        "1",
        "1",
        "Å^2"
      ],
      "values": [
        [
          -0.0067
        ],
        [
          0.4693
        ],
        [
          0.752
        ],
        [
          0.53
        ]
      ],
      "standard_uncertainties": [
        [
          0.0009000000000000001
        ],
        [
          0.0004
        ],
        [
          0.001
        ],
        [
          0.04
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true,
          true,
          true
        ],
        "reported_as": [
          "-0.0067(9)",
          "0.4693(4)",
          "0.752(1)",
          "0.53(4)"
        ]
      }
    },
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:O1",
      "name": "Atom O1 (O, Wyckoff 4e)",
      "description": "Fractional coordinates and isotropic displacement; occupancy 1",
      "quantities": [
        "x",
        "y",
        "z",
        "B_iso"
      ],
      "symbols": [
        "$x$",
        "$y$",
        "$z$",
        "$B_{\\mathrm{iso}}$"
      ],
      "units": [
        "1",
        "1",
        "1",
        "Å^2"
      ],
      "values": [
        [
          -0.278
        ],
        [
          0.214
        ],
        [
          -0.0291
        ],
        [
          0.72
        ]
      ],
      "standard_uncertainties": [
        [
          0.001
        ],
        [
          0.001
        ],
        [
          0.0008
        ],
        [
          0.02
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true,
          true,
          true
        ],
        "reported_as": [
          "-0.278(1)",
          "0.214(1)",
          "-0.0291(8)",
          "0.72(2)"
        ]
      }
    },
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:O2",
      "name": "Atom O2 (O, Wyckoff 4e)",
      "description": "Fractional coordinates and isotropic displacement; occupancy 1",
      "quantities": [
        "x",
        "y",
        "z",
        "B_iso"
      ],
      "symbols": [
        "$x$",
        "$y$",
        "$z$",
        "$B_{\\mathrm{iso}}$"
      ],
      "units": [
        "1",
        "1",
        "1",
        "Å^2"
      ],
      "values": [
        [
          -0.79
        ],
        [
          0.285
        ],
        [
          0.0381
        ],
        [
          0.72
        ]
      ],
      "standard_uncertainties": [
        [
          0.001
        ],
        [
          0.001
        ],
        [
          0.0008
        ],
        [
          0.02
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true,
          true,
          true
        ],
        "reported_as": [
          "-0.790(1)",
          "0.285(1)",
          "0.0381(8)",
          "0.72(2)"
        ]
      }
    },
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:O3",
      "name": "Atom O3 (O, Wyckoff 4e)",
      "description": "Fractional coordinates and isotropic displacement; occupancy 1",
      "quantities": [
        "x",
        "y",
        "z",
        "B_iso"
      ],
      "symbols": [
        "$x$",
        "$y$",
        "$z$",
        "$B_{\\mathrm{iso}}$"
      ],
      "units": [
        "1",
        "1",
        "1",
        "Å^2"
      ],
      "values": [
        [
          0.0709
        ],
        [
          0.0109
        ],
        [
          0.755
        ],
        [
          0.72
        ]
      ],
      "standard_uncertainties": [
        [
          0.0006000000000000001
        ],
        [
          0.0006000000000000001
        ],
        [
          0.001
        ],
        [
          0.02
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true,
          true,
          true
        ],
        "reported_as": [
          "0.0709(6)",
          "0.0109(6)",
          "0.755(1)",
          "0.72(2)"
        ]
      }
    },
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#atom:Co",
      "name": "Atom Co (Co, Wyckoff 2b)",
      "description": "Fractional coordinates and isotropic displacement; occupancy 1",
      "quantities": [
        "x",
        "y",
        "z",
        "B_iso"
      ],
      "symbols": [
        "$x$",
        "$y$",
        "$z$",
        "$B_{\\mathrm{iso}}$"
      ],
      "units": [
        "1",
        "1",
        "1",
        "Å^2"
      ],
      "values": [
        [
          0.0
        ],
        [
          0.0
        ],
        [
          0.0
        ],
        [
          0.12
        ]
      ],
      "standard_uncertainties": [
        [
          0.0
        ],
        [
          0.0
        ],
        [
          0.0
        ],
        [
          0.02
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          false,
          false,
          false,
          true
        ],
        "reported_as": [
          "0",
          "0",
          "0",
          "0.12(2)"
        ]
      }
    },
    {
      "id": "str:srprcoruo6.p21n.300k.iturbe2012#reliability",
      "name": "Rietveld reliability factors",
      "description": "As reported; no uncertainties",
      "quantities": [
        "r_p",
        "r_wp",
        "r_exp",
        "r_bragg",
        "chi2"
      ],
      "symbols": [
        "$R_p$",
        "$R_{wp}$",
        "$R_{exp}$",
        "$R_{Bragg}$",
        "$\\chi^2$"
      ],
      "units": [
        "%",
        "%",
        "%",
        "%",
        "1"
      ],
      "values": [
        [
          2.26
        ],
        [
          2.96
        ],
        [
          3.84
        ],
        [
          3.89
        ],
        [
          0.6
        ]
      ],
      "standard_uncertainties": [
        [
          0.0
        ],
        [
          0.0
        ],
        [
          0.0
        ],
        [
          0.0
        ],
        [
          0.0
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          false,
          false,
          false,
          false,
          false
        ],
        "reported_as": [
          "2.26",
          "2.96",
          "3.84",
          "3.89",
          "0.6"
        ]
      }
    }
  ],
  "measurands": [
    "unit cell",
    "atomic coordinates",
    "displacement parameters"
  ],
  "source": {
    "id": "ref:srprcoruo6.p21n.300k.iturbe2012.all-modes",
    "name": "Rietveld refinement (FullProf, symmetry-mode)",
    "description": "",
    "model": "Least-squares Rietveld refinement of the powder pattern; symmetry-mode parametrisation where method = symmetry-mode; variant all-modes",
    "influence_quantities": [
      {
        "id": "str:srprcoruo6.p21n.300k.iturbe2012#T",
        "name": "Temperature",
        "description": "Temperature of the measurement as reported (uncertainty not reported)",
        "quantities": [
          "Temperature"
        ],
        "symbols": [
          "$T$"
        ],
        "units": [
          "K"
        ],
        "values": [
          [
            300.0
          ]
        ],
        "standard_uncertainties": [
          [
            0.0
          ]
        ],
        "atlas": {
          "uncertainty_reported": [
            false
          ],
          "reported_as": [
            "300"
          ]
        }
      }
    ],
    "input_quantities": [
      {
        "id": "dat:srprcoruo6.iturbe2012.npd.rt",
        "changelog": [
          {
            "timestamp": "2026-09-30T05:59:03+00:00",
            "user": "perovskite-atlas/fer_export.py",
            "description": "Dataset stub. Generated from atlas records at git 98609f0."
          }
        ],
        "description": "NPD pattern of mat:srprcoruo6 at 300 K on D2B high-resolution neutron powder diffractometer (Institut Laue-Langevin, Grenoble)",
        "correct": true,
        "state": [],
        "results": [],
        "measurands": [
          "diffraction pattern"
        ],
        "source": {
          "id": "ins:ill-d2b",
          "name": "D2B high-resolution neutron powder diffractometer",
          "description": "",
          "model": "powder diffraction",
          "influence_quantities": [],
          "input_quantities": []
        },
        "atlas": {
          "record_id": "dat:srprcoruo6.iturbe2012.npd.rt",
          "status": "published",
          "evidence": [
            {
              "doc": "doc:thesis-03",
              "md_line": 1223,
              "table": "6.1",
              "status": "thesis-only",
              "cell": {
                "col": "SrPrCoRuO6"
              }
            }
          ],
          "atlas_schema_version": "0.1",
          "note": "raw pattern not yet attached; results are empty by design until data rescue"
        }
      }
    ]
  },
  "atlas": {
    "record_id": "str:srprcoruo6.p21n.300k.iturbe2012",
    "status": "published",
    "evidence": [
      {
        "doc": "doc:thesis-03",
        "md_line": 1223,
        "table": "6.1",
        "status": "thesis-only",
        "cell": {
          "col": "SrPrCoRuO6"
        }
      }
    ],
    "atlas_schema_version": "0.1",
    "refinement": {
      "record_id": "ref:srprcoruo6.p21n.300k.iturbe2012.all-modes",
      "status": "published",
      "evidence": [
        {
          "doc": "doc:thesis-03",
          "md_line": 1223,
          "table": "6.1",
          "status": "thesis-only",
          "cell": {
            "col": "SrPrCoRuO6"
          }
        }
      ],
      "atlas_schema_version": "0.1"
    }
  }
}

id str:srprcoruo6.p21n.300k.iturbe2012 · correct true · measurands unit cell, atomic coordinates, displacement parameters

Open in the atlas Download fer JSON

State

Temperature · Temperature of the measurement as reported (uncertainty not reported)

quantity	symbol	value	u (standard)	unit
Temperature	T	300	0	K	not reported

Results

Unit cell · Cell parameters, space group P2_1/n (No. 14)

quantity	symbol	value	u (standard)	unit
a	a	5.5550	0.0001	Å
b	b	5.5608	0.0001	Å
c	c	7.8475	0.0001	Å
alpha	\alpha	90	0	°	not reported
beta	\beta	90.051	0.004	°
gamma	\gamma	90	0	°	not reported

Cell volume

quantity	symbol	value	u (standard)	unit
V	V	242.412	0.008	Å³

Atom Sr/Pr (Sr, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 0.5/0.5 (Sr/Pr)

quantity	symbol	value	u (standard)	unit
x	x	-0.0067	0.0009
y	y	0.4693	0.0004
z	z	0.752	0.001
B_iso	B_{\mathrm{iso}}	0.53	0.04	Å²

Atom O1 (O, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 1

quantity	symbol	value	u (standard)	unit
x	x	-0.278	0.001
y	y	0.214	0.001
z	z	-0.0291	0.0008
B_iso	B_{\mathrm{iso}}	0.72	0.02	Å²

Atom O2 (O, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 1

quantity	symbol	value	u (standard)	unit
x	x	-0.790	0.001
y	y	0.285	0.001
z	z	0.0381	0.0008
B_iso	B_{\mathrm{iso}}	0.72	0.02	Å²

Atom O3 (O, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 1

quantity	symbol	value	u (standard)	unit
x	x	0.0709	0.0006
y	y	0.0109	0.0006
z	z	0.755	0.001
B_iso	B_{\mathrm{iso}}	0.72	0.02	Å²

Atom Co (Co, Wyckoff 2b) · Fractional coordinates and isotropic displacement; occupancy 1

quantity	symbol	value	u (standard)	unit
x	x	0	0		not reported
y	y	0	0		not reported
z	z	0	0		not reported
B_iso	B_{\mathrm{iso}}	0.12	0.02	Å²

Rietveld reliability factors · As reported; no uncertainties

quantity	symbol	value	unit
r_p	R_p	2.26	%	not reported
r_wp	R_{wp}	2.96	%	not reported
r_exp	R_{exp}	3.84	%	not reported
r_bragg	R_{Bragg}	3.89	%	not reported
chi2	\chi^2	0.6		not reported

Source

Rietveld refinement (FullProf, symmetry-mode) · model: Least-squares Rietveld refinement of the powder pattern; symmetry-mode parametrisation where method = symmetry-mode; variant all-modes

Influence quantities

Temperature · Temperature of the measurement as reported (uncertainty not reported)

quantity	symbol	value	u (standard)	unit
Temperature	T	300	0	K	not reported

Input quantities

dat:srprcoruo6.iturbe2012.npd.rt · NPD pattern of mat:srprcoruo6 at 300 K on D2B high-resolution neutron powder diffractometer (Institut Laue-Langevin, Grenoble)

id dat:srprcoruo6.iturbe2012.npd.rt · correct true · measurands diffraction pattern

Results

Empty (no results attached yet).

Source

D2B high-resolution neutron powder diffractometer · model: powder diffraction

Changelog

timestamp	user	description
2026-09-30T05:59:03+00:00	perovskite-atlas/fer_export.py	Dataset stub. Generated from atlas records at git 98609f0.

Changelog

timestamp	user	description
2026-09-30T05:59:03+00:00	perovskite-atlas/fer_export.py	Refined structure. Generated from atlas records at git 98609f0.

Atlas extension

record str:srprcoruo6.p21n.300k.iturbe2012 · status published

doc doc:thesis-03 · md_line 1223 · table 6.1 · status thesis-only · cell {‘col’: ‘SrPrCoRuO6’}