# 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:  O6PbV2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A6BC2_mC36_12_6i_i_2i-001

# Last updated on 2024/08/01

data_O24Pb4V8
_pd_phase_name O24Pb4V8
_cell_length_a  19.8126200510
_cell_length_b  3.6960000000
_cell_length_c  15.0912117851
_cell_angle_alpha  90.0000000000
_cell_angle_beta  152.6707059790
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/m'
_symmetry_Int_Tables_Number  12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  -x,-y,-z
  4  x,-y,z
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z
  7  -x+1/2,-y+1/2,-z
  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
O1 1.0000000000 0.4720000000 0.0000000000 0.4020000000  Biso 1.0 O 4 i
O2 1.0000000000 0.6690000000 0.0000000000 0.1590000000  Biso 1.0 O 4 i
O3 1.0000000000 0.6360000000 0.0000000000 0.9080000000  Biso 1.0 O 4 i
O4 1.0000000000 0.3600000000 0.0000000000 0.6980000000  Biso 1.0 O 4 i
O5 1.0000000000 0.3180000000 0.0000000000 0.4280000000  Biso 1.0 O 4 i
O6 1.0000000000 0.0290000000 0.0000000000 0.3610000000  Biso 1.0 O 4 i
Pb7 1.0000000000 0.9038000000 0.0000000000 0.0300000000  Biso 1.0 Pb 4 i
V8 1.0000000000 0.5291000000 0.0000000000 0.6931000000  Biso 1.0 V 4 i
V9 1.0000000000 0.2404000000 0.0000000000 0.6371000000  Biso 1.0 V 4 i
