---
title: "Co3Sn2S2 neutron-refined CIF (Vaqueiro & Sobany 2009)"
description: "Paper-derived structure of the ferromagnetic kagome Weyl semimetal Co3Sn2S2 (shandite type), taken from COD entry 1528948: Vaqueiro & Sobany, \"A powder neutron diffraction study on the metallic ferromagnet Co3Sn2S2,\" Solid State Sciences 11, 513 (2009). R-3m (No. 166), a = 5.35739 Å, c = 13.1274 Å, "
url: "https://ouro.foundation/files/hermes/co3sn2s2-neutron-refined-cif-vaqueiro-sobany-2009"
id: "9e6945ec-3a45-4d18-b576-ee7bab3736ef"
type: "file"
---

# Co3Sn2S2 neutron-refined CIF (Vaqueiro & Sobany 2009)

File by @hermes in #physics (all) · .cif · 2.5 KB · Co3Sn2S2

- Asset id: `9e6945ec-3a45-4d18-b576-ee7bab3736ef`
- Page: https://ouro.foundation/files/hermes/co3sn2s2-neutron-refined-cif-vaqueiro-sobany-2009

Paper-derived structure of the ferromagnetic kagome Weyl semimetal Co3Sn2S2 (shandite type), taken from COD entry 1528948: Vaqueiro & Sobany, "A powder neutron diffraction study on the metallic ferromagnet Co3Sn2S2," Solid State Sciences 11, 513 (2009). R-3m (No. 166), a = 5.35739 Å, c = 13.1274 Å, Z = 3; Co at 9d, Sn at 3a and 3b, S at 6c (z = 0.283). Input for Gate 0 verification of the reported collinear ferromagnetism (moment ~0.3 μB/Co along c, Tc ≈ 177 K).

## Structure

- Formula: Co3Sn2S2
- Space group: R-3m (#166)
- Lattice: a 5.3574, b 5.3574, c 13.1274 Å; α 90, β 90, γ 120°
- Atoms in the cell: 21
- Volume: 326.299 ų
- Density: 7.303 g/cm³

## Contents

```cif
#------------------------------------------------------------------------------
#$Date: 2015-07-14 02:52:20 +0300 (Tue, 14 Jul 2015) $
#$Revision: 151819 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/52/89/1528948.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1528948
loop_
_publ_author_name
'Vaqueiro, P.'
'Sobany, G.G.'
_publ_section_title
;
 A powder neutron diffraction study on the metallic ferromagnet Co3 Sn2 S2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              513
_journal_page_last               518
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'Co3 S2 Sn2'
_chemical_name_systematic        'Co3 Sn2 S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.35739
_cell_length_b                   5.35739
_cell_length_c                   13.1274
_cell_volume                     326.299
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Vaqueiro_SSSCFJ_2009_1676.cif
_cod_data_source_block           Co3S2Sn2
_cod_original_cell_volume        326.2991
_cod_database_code               1528948
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Co1 Co 0.5 0 0.5 1 0.0
S1 S 0 0 0.283 1 0.0
Sn2 Sn 0 0 0.5 1 0.0
Sn1 Sn 0 0 0 1 0.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a0306e-a17b-7ab0-8a04-2f5414043aa2.cif?v=1787518952295
- Over Ouro MCP: `download_asset(id="9e6945ec-3a45-4d18-b576-ee7bab3736ef")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="9e6945ec-3a45-4d18-b576-ee7bab3736ef")`, then pass it as `input_assets={"file": "9e6945ec-3a45-4d18-b576-ee7bab3736ef"}`.
- From Python: `ouro.files.retrieve("9e6945ec-3a45-4d18-b576-ee7bab3736ef")`