# 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:  O7SiU weeksite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7BC_oC36_38_3d2f_d_d-001

# Last updated on 2024/08/01

data_O28Si4U4
_pd_phase_name O28Si4U4
_cell_length_a  7.1060000000
_cell_length_b  17.9000000000
_cell_length_c  7.0870000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Amm2'
_symmetry_Int_Tables_Number  38
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x,-y,z
  4  -x,y,z
  5  x,y+1/2,z+1/2
  6  -x,-y+1/2,z+1/2
  7  x,-y+1/2,z+1/2
  8  -x,y+1/2,z+1/2
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 0.6800000000 0.1930000000  Biso 1.0 O 4 d
O2 1.0000000000 0.0000000000 0.6800000000 0.8070000000  Biso 1.0 O 4 d
O3 1.0000000000 0.0000000000 0.9290000000 0.9730000000  Biso 1.0 O 4 d
Si6 1.0000000000 0.0000000000 0.6300000000 0.0230000000  Biso 1.0 Si 4 d
U7 1.0000000000 0.0000000000 0.6980000000 0.5000000000  Biso 1.0 U 4 d
O4 1.0000000000 0.2500000000 0.8070000000 0.0460000000  Biso 1.0 O 8 f
O5 1.0000000000 0.1940000000 0.5710000000 0.9870000000  Biso 1.0 O 8 f
