# 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:  Bi4O11V2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B9C2_mC112_5_6c_2a2b16c_4c-001

# Last updated on 2024/08/01

data_Bi24O72V16
_pd_phase_name Bi24O72V16
_cell_length_a  5.6106000000
_cell_length_b  15.2707000000
_cell_length_c  16.5949000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.2600000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2'
_symmetry_Int_Tables_Number  5
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  x+1/2,y+1/2,z
  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
O7 1.0000000000 0.0000000000 0.2500000000 0.0000000000  Biso 1.0 O 2 a
O8 1.0000000000 0.0000000000 0.7340000000 0.0000000000  Biso 1.0 O 2 a
O10 1.0000000000 0.0000000000 0.7410000000 0.5000000000  Biso 1.0 O 2 b
O9 1.0000000000 0.0000000000 0.2610000000 0.5000000000  Biso 1.0 O 2 b
Bi1 1.0000000000 0.2865000000 0.6620000000 0.9142000000  Biso 1.0 Bi 4 c
Bi2 1.0000000000 0.7794000000 0.8220000000 0.9154000000  Biso 1.0 Bi 4 c
Bi3 1.0000000000 0.7261000000 0.6680000000 0.7471000000  Biso 1.0 Bi 4 c
Bi4 1.0000000000 0.2215000000 0.8310000000 0.7558000000  Biso 1.0 Bi 4 c
Bi5 1.0000000000 0.2411000000 0.6710000000 0.5880000000  Biso 1.0 Bi 4 c
Bi6 1.0000000000 0.7131000000 0.8340000000 0.5827000000  Biso 1.0 Bi 4 c
O11 1.0000000000 0.5330000000 0.7430000000 0.8380000000  Biso 1.0 O 4 c
O12 1.0000000000 0.5230000000 0.7490000000 0.6740000000  Biso 1.0 O 4 c
O13 1.0000000000 0.9920000000 0.7540000000 0.6660000000  Biso 1.0 O 4 c
O14 1.0000000000 0.0060000000 0.7450000000 0.1600000000  Biso 1.0 O 4 c
O15 1.0000000000 0.3200000000 0.5900000000 0.7750000000  Biso 1.0 O 4 c
O16 1.0000000000 0.6890000000 0.5900000000 0.9290000000  Biso 1.0 O 4 c
O17 1.0000000000 0.7410000000 0.6050000000 0.5770000000  Biso 1.0 O 4 c
O18 1.0000000000 0.1710000000 0.9020000000 0.9270000000  Biso 1.0 O 4 c
O19 1.0000000000 0.8660000000 0.9090000000 0.7770000000  Biso 1.0 O 4 c
O20 1.0000000000 0.5520000000 0.5260000000 0.6560000000  Biso 1.0 O 4 c
O21 1.0000000000 0.6540000000 0.9900000000 0.9506000000  Biso 1.0 O 4 c
O22 1.0000000000 0.0680000000 0.5280000000 0.6600000000  Biso 1.0 O 4 c
O23 1.0000000000 0.9220000000 0.5010000000 0.8114000000  Biso 1.0 O 4 c
O24 1.0000000000 0.3330000000 0.8900000000 0.6200000000  Biso 1.0 O 4 c
O25 1.0000000000 0.8860000000 0.9390000000 0.4860000000  Biso 1.0 O 4 c
O26 1.0000000000 0.5850000000 0.9820000000 0.4960000000  Biso 1.0 O 4 c
V27 1.0000000000 0.6800000000 0.9930000000 0.7562000000  Biso 1.0 V 4 c
V28 1.0000000000 0.3030000000 0.9990000000 0.9327000000  Biso 1.0 V 4 c
V29 1.0000000000 0.1670000000 0.9950000000 0.5620000000  Biso 1.0 V 4 c
V30 1.0000000000 0.2820000000 0.9920000000 0.5750000000  Biso 1.0 V 4 c
