# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988

# Chemical Composition:  A2B_mP12_3_ab3e_2e-001 O2Si

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B_mP12_3_ab3e_2e-001

# Last updated on 2024/08/01
data_SiO2
_pd_phase_name SiO2
_cell_length_a  7.4211000000
_cell_length_b  4.1294000000
_cell_length_c  7.7590691818
_cell_angle_alpha  90.0000000000
_cell_angle_beta  148.2860871050
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2'
_symmetry_Int_Tables_Number  3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
O1  1.0000000000 0.0000000000 0.1590700000 0.5000000000  Biso 1.0 O  1 b
O2  1.0000000000 0.0000000000 0.7385900000 0.0000000000  Biso 1.0 O  1 a
O3  1.0000000000 0.3347200000 0.7520000000 0.5239900000  Biso 1.0 O  2 e
O4  1.0000000000 0.2448800000 0.7147300000 0.8856200000  Biso 1.0 O  2 e
O5  1.0000000000 0.8016100000 0.2019600000 0.9896300000  Biso 1.0 O  2 e
Si6 1.0000000000 0.9859300000 0.0000000000 0.6824400000  Biso 1.0 Si 2 e
Si7 1.0000000000 0.7030100000 0.5856400000 0.8809800000  Biso 1.0 Si 2 e
