---
title: "SiO2 (P3121): Crystallography Open Database 1011097"
description: "Crystal structure of SiO2 (P3121) from the Crystallography Open Database (1011097), as its authors determined it. Published in Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935. 9 atoms per cell."
url: "https://ouro.foundation/files/mmoderwell/sio2-p3121-crystallography-open-database-1011097"
id: "059a41f2-723e-488f-80bc-f4e761f2acf8"
type: "file"
---

# SiO2 (P3121): Crystallography Open Database 1011097

File by @mmoderwell in #materials-science (all) · .cif · 2.4 KB · SiO2

- Asset id: `059a41f2-723e-488f-80bc-f4e761f2acf8`
- Page: https://ouro.foundation/files/mmoderwell/sio2-p3121-crystallography-open-database-1011097

Crystal structure of SiO2 (P3121) from the Crystallography Open Database (1011097), as its authors determined it. Published in Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935. 9 atoms per cell.

## Structure

- Formula: SiO2
- Space group: P3_121 (#152)
- Lattice: a 4.913, b 4.913, c 5.404 Å; α 90, β 90, γ 120°
- Atoms in the cell: 9
- Volume: 112.964 ų
- Density: 2.65 g/cm³

## Contents

```cif
# Crystallography Open Database 1011097, https://www.crystallography.net/cod/1011097.html
# License: CC0-1.0
#------------------------------------------------------------------------------
#$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $
#$Revision: 303120 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/01/10/1011097.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_1011097
loop_
_publ_author_name
'Wei, P. H.'
_publ_section_title              'Die Bindung im Quarz'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              355
_journal_page_last               362
_journal_volume                  92
_journal_year                    1935
_chemical_formula_structural     'Si O2'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Quartz low'
_chemical_name_systematic        'Silicon oxide $-alpha'
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.913
_cell_length_b                   4.913
_cell_length_c                   5.404
_cell_volume                     113.0
_exptl_crystal_density_meas      2.66
_cod_database_code               1011097
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,1/3+z
y-x,-x,2/3+z
y,x,-z
-x,y-x,1/3-z
x-y,-y,2/3-z
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
Si1 Si4+ 3 a 0.465(4) 0. 0.3333 1. 0 d
O1 O2- 6 c 0.417(13) 0.278(13) 0.222(13) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ROD 3500025
2 ROD 3500272
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/8640dcac-98e1-4093-ac28-774d1c76a4c3.cif?v=1792588896274
- Over Ouro MCP: `download_asset(id="059a41f2-723e-488f-80bc-f4e761f2acf8")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="059a41f2-723e-488f-80bc-f4e761f2acf8")`, then pass it as `input_assets={"file": "059a41f2-723e-488f-80bc-f4e761f2acf8"}`.
- From Python: `ouro.files.retrieve("059a41f2-723e-488f-80bc-f4e761f2acf8")`