# 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/A4B12C3_oC76_63_eg_fg2h_cf-001

# Last updated on 2024/08/02

data_Bi16O48V12
_pd_phase_name Bi16O48V12
_cell_length_a  15.3471000000
_cell_length_b  5.6492500000
_cell_length_c  11.2333000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cmcm'
_symmetry_Int_Tables_Number  63
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,-y,-z
  6  x,y,-z+1/2
  7  x,-y,z+1/2
  8  -x,y,z
  9  x+1/2,y+1/2,z
  10  -x+1/2,-y+1/2,z+1/2
  11  -x+1/2,y+1/2,-z+1/2
  12  x+1/2,-y+1/2,-z
  13  -x+1/2,-y+1/2,-z
  14  x+1/2,y+1/2,-z+1/2
  15  x+1/2,-y+1/2,z+1/2
  16  -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
V7 1.0000000000 -0.0000000000 0.9550000000 0.2500000000  Biso 1.0 V 4 c
Bi1 1.0000000000 0.1697000000 0.0000000000 -0.0000000000  Biso 1.0 Bi 8 e
O3 1.0000000000 0.0000000000 0.2250000000 0.8760000000  Biso 1.0 O 8 f
V8 1.0000000000 -0.0000000000 0.4710000000 0.9820000000  Biso 1.0 V 8 f
Bi2 1.0000000000 0.1684000000 0.4619000000 0.2500000000  Biso 1.0 Bi 8 g
O4 1.0000000000 0.1015000000 0.0590000000 0.2500000000  Biso 1.0 O 8 g
O5 1.0000000000 0.2490000000 0.2517000000 0.8790000000  Biso 1.0 O 16 h
O6 1.0000000000 0.0631000000 0.6540000000 0.9250000000  Biso 1.0 O 16 h
