# 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:  Li2O5Si2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B5C2_oC36_37_d_c2d_d-001

# Last updated on 2024/08/01

data_Li8O20Si8
_pd_phase_name Li8O20Si8
_cell_length_a  14.5824024161
_cell_length_b  5.8071602545
_cell_length_c  4.7731317194
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Ccc2'
_symmetry_Int_Tables_Number  37
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x,-y,z+1/2
  4  -x,y,z+1/2
  5  x+1/2,y+1/2,z
  6  -x+1/2,-y+1/2,z
  7  x+1/2,-y+1/2,z+1/2
  8  -x+1/2,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
O2 1.0000000000 0.2500000000 0.2500000000 0.5000000000  Biso 1.0 O 4 c
Li1 1.0000000000 0.5584000000 0.8460000000 0.0469000000  Biso 1.0 Li 8 d
O3 1.0000000000 0.5718000000 0.8295000000 0.4710000000  Biso 1.0 O 8 d
O4 1.0000000000 0.6377000000 0.4068000000 0.4004000000  Biso 1.0 O 8 d
Si5 1.0000000000 0.6483600000 0.3448000000 0.0571000000  Biso 1.0 Si 8 d
