# 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:  Bi2GeO5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2BC5_oC32_36_b_a_a2b-001

# Last updated on 2024/08/01

data_Bi8Ge4O20
_pd_phase_name Bi8Ge4O20
_cell_length_a  15.6900000000
_cell_length_b  5.4920000000
_cell_length_c  5.3830000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cmc2_{1}'
_symmetry_Int_Tables_Number  36
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  x,-y,z+1/2
  4  -x,y,z
  5  x+1/2,y+1/2,z
  6  -x+1/2,-y+1/2,z+1/2
  7  x+1/2,-y+1/2,z+1/2
  8  -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
Ge2 1.0000000000 -0.0000000000 0.6857200000 0.2000300000  Biso 1.0 Ge 4 a
O3 1.0000000000 -0.0000000000 0.5803000000 0.4908000000  Biso 1.0 O 4 a
Bi1 1.0000000000 0.1675800000 0.2173800000 0.2500000000  Biso 1.0 Bi 8 b
O4 1.0000000000 0.0949000000 0.1368000000 0.6482000000  Biso 1.0 O 8 b
O5 1.0000000000 0.2541000000 0.4777000000 0.4621000000  Biso 1.0 O 8 b
