# 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:  Ge2Li2O5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B2C5_oC36_39_d_d_c2d-001

# Last updated on 2024/08/01

data_Ge8Li8O20
_pd_phase_name Ge8Li8O20
_cell_length_a  5.9900000000
_cell_length_b  15.0500000000
_cell_length_c  4.9400000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Aem2'
_symmetry_Int_Tables_Number  39
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x,-y+1/2,z
  4  -x,y+1/2,z
  5  x,y+1/2,z+1/2
  6  -x,-y+1/2,z+1/2
  7  x,-y,z+1/2
  8  -x,y,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
O3 1.0000000000 0.2400000000 0.2500000000 0.4700000000  Biso 1.0 O 4 c
Ge1 1.0000000000 0.1550000000 0.6448000000 0.9000000000  Biso 1.0 Ge 8 d
Li2 1.0000000000 0.3560000000 0.5570000000 0.5600000000  Biso 1.0 Li 8 d
O4 1.0000000000 0.3320000000 0.5670000000 0.9640000000  Biso 1.0 O 8 d
O5 1.0000000000 0.1040000000 0.6335000000 0.5600000000  Biso 1.0 O 8 d
