---
title: "NaCl (Fm-3m): Crystallography Open Database 1000041"
description: "Crystal structure of NaCl (Fm-3m) from the Crystallography Open Database (1000041), as its authors determined it. Published in Acta Crystallographica (1,1948-23,1967), 1965. 8 atoms per cell."
url: "https://ouro.foundation/files/mmoderwell/nacl-fm-3m-crystallography-open-database-1000041"
id: "ba38da65-9aa8-4fe8-a818-d1f66d27a04c"
type: "file"
---

# NaCl (Fm-3m): Crystallography Open Database 1000041

File by @mmoderwell in #materials-science (all) · .cif · 4.6 KB · NaCl

- Asset id: `ba38da65-9aa8-4fe8-a818-d1f66d27a04c`
- Page: https://ouro.foundation/files/mmoderwell/nacl-fm-3m-crystallography-open-database-1000041

Crystal structure of NaCl (Fm-3m) from the Crystallography Open Database (1000041), as its authors determined it. Published in Acta Crystallographica (1,1948-23,1967), 1965. 8 atoms per cell.

## Structure

- Formula: NaCl
- Space group: Fm-3m (#225)
- Lattice: a 5.62, b 5.62, c 5.62 Å; α 90, β 90, γ 90°
- Atoms in the cell: 8
- Volume: 177.504 ų
- Density: 2.187 g/cm³

## Contents

```cif
# Crystallography Open Database 1000041, https://www.crystallography.net/cod/1000041.html
# License: CC0-1.0
#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/00/1000041.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_1000041
loop_
_publ_author_name
'Abrahams, S C'
'Bernstein, J L'
_publ_section_title
;
Accuracy of an automatic diffractometer. measurement of the sodium
chloride structure factors
;
_journal_coden_ASTM              ACCRA9
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              926
_journal_page_last               932
_journal_paper_doi               10.1107/S0365110X65002244
_journal_volume                  18
_journal_year                    1965
_chemical_formula_structural     'Na Cl'
_chemical_formula_sum            'Cl Na'
_chemical_name_systematic        'Sodium chloride'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.62
_cell_length_b                   5.62
_cell_length_c                   5.62
_cell_volume                     177.5
_refine_ls_R_factor_all          0.022
_cod_database_code               1000041
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_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
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-x,z,y
-y,x,z
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x,-y,z
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z,-x,y
x,-z,y
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1/2+y,1/2+z,x
z,1/2+x,1/2+y
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z,1/2+y,1/2+x
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1/2+z,1/2+y,x
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1/2+x,1/2-y,-z
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1/2+x,-z,1/2-y
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y,1/2-x,1/2-z
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1/2-x,-z,1/2+y
1/2-x,1/2-z,y
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1/2-y,-x,1/2+z
1/2-y,1/2-x,z
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1/2-y,1/2+x,z
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1/2+x,y,1/2-z
1/2+x,1/2+y,-z
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
z,1/2+x,1/2-y
1/2+z,x,1/2-y
1/2+z,1/2+x,-y
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1/2+x,z,1/2-y
1/2+x,1/2+z,-y
y,1/2+x,1/2-z
1/2+y,x,1/2-z
1/2+y,1/2+x,-z
z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Na1 Na1+ 4 a 0. 0. 0. 1. 0 d
Cl1 Cl1- 4 b 0.5 0.5 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Cl1- -1.000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/53c00739-782f-42e8-92d9-200a9a6822b3.cif?v=1792588890190
- Over Ouro MCP: `download_asset(id="ba38da65-9aa8-4fe8-a818-d1f66d27a04c")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="ba38da65-9aa8-4fe8-a818-d1f66d27a04c")`, then pass it as `input_assets={"file": "ba38da65-9aa8-4fe8-a818-d1f66d27a04c"}`.
- From Python: `ouro.files.retrieve("ba38da65-9aa8-4fe8-a818-d1f66d27a04c")`