Refined crystal structure of Sr2CoTeO6 at 300 K, P2_1/n

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          "reported_as": [
            "300"
          ]
        }
      }
    ],
    "input_quantities": [
      {
        "id": "dat:sr2coteo6.orayech2015.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:sr2coteo6 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:sr2coteo6.orayech2015.npd.rt",
          "status": "published",
          "evidence": [
            {
              "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": [
      {
        "doc": "doc:thesis-04",
        "md_line": 2002,
        "table": "9.3",
        "status": "thesis-only",
        "cell": {
          "col": "Sr2CoTeO6"
        }
      }
    ],
    "atlas_schema_version": "0.1",
    "refinement": {
      "record_id": "ref:sr2coteo6.p21n.300k.orayech2015.all-modes",
      "status": "published",
      "evidence": [
        {
          "doc": "doc:thesis-04",
          "md_line": 2002,
          "table": "9.3",
          "status": "thesis-only",
          "cell": {
            "col": "Sr2CoTeO6"
          }
        }
      ],
      "atlas_schema_version": "0.1"
    }
  }
}

id str:sr2coteo6.p21n.300k.orayech2015 · 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	5.6434	0.0001	Å
b	b	5.6091	0.0001	Å
c	c	7.9271	0.0002	Å
alpha	\alpha	90	0	°	not reported
beta	\beta	89.950	0.004	°
gamma	\gamma	90	0	°	not reported

Cell volume

quantity	symbol	value	u (standard)	unit
V	V	250.92	0.01	Å³

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

quantity	symbol	value	u (standard)	unit
x	x	-0.0003	0.0004
y	y	0.5003	0.0001
z	z	0.2492	0.0007
B_iso	B_{\mathrm{iso}}	1.02	0.03	Å²

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

quantity	symbol	value	u (standard)	unit
x	x	-0.7460	0.0007
y	y	0.2285	0.0007
z	z	-0.0238	0.0001
B_iso	B_{\mathrm{iso}}	1.06	0.01	Å²

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

quantity	symbol	value	u (standard)	unit
x	x	-0.4503	0.0003
y	y	0.5008	0.0001
z	z	-0.2604	0.0005
B_iso	B_{\mathrm{iso}}	1.06	0.01	Å²

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

quantity	symbol	value	u (standard)	unit
x	x	-0.2294	0.0007
y	y	0.2518	0.0007
z	z	0.0267	0.0001
B_iso	B_{\mathrm{iso}}	1.06	0.01	Å²

Atom Te (Te, Wyckoff 2a) · 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}}	0.76	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	0.5	0		not reported
B_iso	B_{\mathrm{iso}}	0.76	0.02	Å²

Rietveld reliability factors · As reported; no uncertainties

quantity	symbol	value	u (standard)	unit
chi2	\chi^2	6.25	0		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:sr2coteo6.orayech2015.npd.rt · NPD pattern of mat:sr2coteo6 at 300 K on D2B high-resolution neutron powder diffractometer (Institut Laue-Langevin, Grenoble)

id dat:sr2coteo6.orayech2015.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:sr2coteo6.p21n.300k.orayech2015 · status published

doc doc:thesis-04 · md_line 2002 · table 9.3 · status thesis-only · cell {‘col’: ‘Sr2CoTeO6’}