# 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:  O2Si tridymite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B_oP72_19_12a_6a-001

# Last updated on 2024/08/01

data_O48Si24
_pd_phase_name O48Si24
_cell_length_a  26.1630000000
_cell_length_b  4.9870000000
_cell_length_c  8.1990000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}2_{1}2_{1}'
_symmetry_Int_Tables_Number  19
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x+1/2,-y+1/2,-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
O10 1.0000000000 0.1572000000 0.7540000000 0.1990000000  Biso 1.0 O 4 a
O1 1.0000000000 0.1935000000 0.0580000000 0.9860000000  Biso 1.0 O 4 a
O11 1.0000000000 0.9893000000 0.4180000000 0.7270000000  Biso 1.0 O 4 a
O12 1.0000000000 0.9911000000 0.2510000000 0.2150000000  Biso 1.0 O 4 a
O2 1.0000000000 0.1403000000 0.5650000000 0.4900000000  Biso 1.0 O 4 a
O3 1.0000000000 0.0299000000 0.5680000000 0.0010000000  Biso 1.0 O 4 a
O4 1.0000000000 0.0825000000 0.5630000000 0.7430000000  Biso 1.0 O 4 a
O5 1.0000000000 0.0823000000 0.4280000000 0.2410000000  Biso 1.0 O 4 a
O6 1.0000000000 0.2484000000 0.9140000000 0.2340000000  Biso 1.0 O 4 a
O7 1.0000000000 0.1762000000 0.4120000000 0.7650000000  Biso 1.0 O 4 a
O8 1.0000000000 0.1754000000 0.2530000000 0.2750000000  Biso 1.0 O 4 a
O9 1.0000000000 0.1564000000 0.9100000000 0.7150000000  Biso 1.0 O 4 a
Si13 1.0000000000 0.1390000000 0.6112000000 0.6786000000  Biso 1.0 Si 4 a
Si14 1.0000000000 0.1393000000 0.4957000000 0.3012000000  Biso 1.0 Si 4 a
Si15 1.0000000000 0.0278000000 0.6180000000 0.8118000000  Biso 1.0 Si 4 a
Si16 1.0000000000 0.0282000000 0.5019000000 0.1843000000  Biso 1.0 Si 4 a
Si17 1.0000000000 0.1946000000 0.1131000000 0.8013000000  Biso 1.0 Si 4 a
Si18 1.0000000000 0.1945000000 0.9954000000 0.1740000000  Biso 1.0 Si 4 a
