{
 "id": "fnd:sr2coteo6.p21n.300k.orayech2015.geometry",
 "changelog": [
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   "timestamp": "2026-09-30T05:59:03+00:00",
   "user": "perovskite-atlas/fer_export.py",
   "description": "Geometry. Generated from atlas records at git 98609f0."
  }
 ],
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 "correct": true,
 "state": [
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    ],
    "symbols": [
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    ],
    "units": [
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    ],
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    "standard_uncertainties": [
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    }
   }
  }
 ],
 "results": [
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   "description": "",
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    "Te-O3(×2)"
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   "units": [
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    "Å",
    "Å",
    "Å",
    "Å",
    "Å"
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    [
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    [
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     true,
     true,
     true,
     true,
     true
    ],
    "reported_as": [
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     "2.083(1)",
     "2.077(3)",
     "1.932(3)",
     "1.920(1)",
     "1.927(3)"
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  },
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   "description": "",
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    "O1-Co/Mg-O3",
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    "Co/Mg-O3-Te"
   ],
   "symbols": [
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    "°",
    "°",
    "°",
    "°",
    "°",
    "°",
    "°"
   ],
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     89.4
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     88.7
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    [
     89.5
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     166.8
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     163.8
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    [
     167.7
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    [
     0.2
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     0.2
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    [
     0.2
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   ],
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     true,
     true,
     true,
     true,
     true,
     true,
     true,
     true
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     "89.4(4)",
     "88.7(3)",
     "89.5(4)",
     "166.8(2)",
     "163.8(2)",
     "167.7(2)"
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   }
  },
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   "id": "fnd:sr2coteo6.p21n.300k.orayech2015.geometry#octahedron:Co/MgO6",
   "name": "Octahedron Co/MgO6",
   "description": "",
   "quantities": [
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   ],
   "symbols": [
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   ],
   "units": [
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    "Å"
   ],
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    [
     0.001
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    [
     0.0
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   ],
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    "uncertainty_reported": [
     true,
     false
    ],
    "reported_as": [
     "2.076(1)",
     "2.0985"
    ]
   }
  },
  {
   "id": "fnd:sr2coteo6.p21n.300k.orayech2015.geometry#octahedron:TeO6",
   "name": "Octahedron TeO6",
   "description": "",
   "quantities": [
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    "predicted_bond"
   ],
   "symbols": [
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   ],
   "units": [
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    "Å"
   ],
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    [
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   "standard_uncertainties": [
    [
     0.001
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    [
     0.0
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   ],
   "atlas": {
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     true,
     false
    ],
    "reported_as": [
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     "1.9170"
    ]
   }
  }
 ],
 "measurands": [
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  "bond angles",
  "bond-valence sums"
 ],
 "source": {
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  "name": "Geometry derived from the refined structure",
  "description": "",
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  "influence_quantities": [],
  "input_quantities": [
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    ],
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      }
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    ],
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       "°",
       "°"
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     {
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       ],
       "reported_as": [
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     },
     {
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      "units": [
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       [
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       [
        0.03
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      ],
      "atlas": {
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        true,
        true,
        true
       ],
       "reported_as": [
        "-0.0003(4)",
        "0.5003(1)",
        "0.2492(7)",
        "1.02(3)"
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      }
     },
     {
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      "quantities": [
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      "symbols": [
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       "$y$",
       "$z$",
       "$B_{\\mathrm{iso}}$"
      ],
      "units": [
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       "1",
       "1",
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       [
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       [
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       [
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        true,
        true,
        true
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       "reported_as": [
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        "1.06(1)"
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     {
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       "z",
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      "symbols": [
       "$x$",
       "$y$",
       "$z$",
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      "units": [
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       "1",
       "1",
       "Å^2"
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      "values": [
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       [
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       [
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        true,
        true,
        true
       ],
       "reported_as": [
        "-0.4503(3)",
        "0.5008(1)",
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        "1.06(1)"
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      }
     },
     {
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      "name": "Atom O3 (O, Wyckoff 4e)",
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      "quantities": [
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       "y",
       "z",
       "B_iso"
      ],
      "symbols": [
       "$x$",
       "$y$",
       "$z$",
       "$B_{\\mathrm{iso}}$"
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       "1",
       "1",
       "Å^2"
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      "atlas": {
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        true,
        true,
        true,
        true
       ],
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        "0.2518(7)",
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      }
     },
     {
      "id": "str:sr2coteo6.p21n.300k.orayech2015#atom:Te",
      "name": "Atom Te (Te, Wyckoff 2a)",
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      "quantities": [
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       "z",
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      "symbols": [
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       "$y$",
       "$z$",
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      "units": [
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       "1",
       "1",
       "Å^2"
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        false,
        true
       ],
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      }
     },
     {
      "id": "str:sr2coteo6.p21n.300k.orayech2015#atom:Co",
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      ],
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       [
        0.0
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        0.0
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        0.02
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        false,
        true
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     },
     {
      "id": "str:sr2coteo6.p21n.300k.orayech2015#reliability",
      "name": "Rietveld reliability factors",
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      "quantities": [
       "chi2"
      ],
      "symbols": [
       "$\\chi^2$"
      ],
      "units": [
       "1"
      ],
      "values": [
       [
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      ],
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        0.0
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      ],
      "atlas": {
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        false
       ],
       "reported_as": [
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      }
     }
    ],
    "measurands": [
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     "atomic coordinates",
     "displacement parameters"
    ],
    "source": {
     "id": "ref:sr2coteo6.p21n.300k.orayech2015.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:sr2coteo6.p21n.300k.orayech2015#T",
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       }
      }
     ],
     "input_quantities": [
      {
       "id": "dat:sr2coteo6.orayech2015.npd.rt",
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         "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:sr2coteo6 at 300 K on D2B high-resolution neutron powder diffractometer (Institut Laue-Langevin, Grenoble)",
       "correct": true,
       "state": [],
       "results": [],
       "measurands": [
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       ],
       "source": {
        "id": "ins:ill-d2b",
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        "description": "",
        "model": "powder diffraction",
        "influence_quantities": [],
        "input_quantities": []
       },
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        "status": "published",
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         {
          "doc": "doc:thesis-04",
          "md_line": 2002,
          "table": "9.3",
          "status": "thesis-only",
          "cell": {
           "col": "Sr2CoTeO6"
          }
         }
        ],
        "atlas_schema_version": "0.1",
        "note": "raw pattern not yet attached; results are empty by design until data rescue"
       }
      }
     ]
    },
    "atlas": {
     "record_id": "str:sr2coteo6.p21n.300k.orayech2015",
     "status": "published",
     "evidence": [
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       "doc": "doc:thesis-04",
       "md_line": 2002,
       "table": "9.3",
       "status": "thesis-only",
       "cell": {
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      }
     ],
     "atlas_schema_version": "0.1",
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        "doc": "doc:thesis-04",
        "md_line": 2002,
        "table": "9.3",
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        "cell": {
         "col": "Sr2CoTeO6"
        }
       }
      ],
      "atlas_schema_version": "0.1"
     }
    }
   }
  ]
 },
 "atlas": {
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  "status": "published",
  "evidence": [
   {
    "doc": "doc:thesis-04",
    "md_line": 2042,
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    "status": "thesis-only",
    "cell": {
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    }
   }
  ],
  "atlas_schema_version": "0.1"
 }
}