# 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:  O5V3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B3_mP32_13_ef4g_ab2g-001

# Last updated on 2024/08/01

data_O20V12
_pd_phase_name O20V12
_cell_length_a  13.8578083432
_cell_length_b  5.0416000000
_cell_length_c  6.9910000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  137.8770275301
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2/c'
_symmetry_Int_Tables_Number  13
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
  4  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
V7 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 V 2 a
V8 1.0000000000 0.5000000000 0.5000000000 0.0000000000  Biso 1.0 V 2 b
O1 1.0000000000 0.0000000000 0.2027900000 0.2500000000  Biso 1.0 O 2 e
O2 1.0000000000 0.5000000000 0.6851700000 0.2500000000  Biso 1.0 O 2 f
O3 1.0000000000 0.7001700000 0.6473900000 0.2382600000  Biso 1.0 O 4 g
O4 1.0000000000 0.8133200000 0.8401400000 0.7870300000  Biso 1.0 O 4 g
O5 1.0000000000 0.9179900000 0.6517900000 0.2787600000  Biso 1.0 O 4 g
O6 1.0000000000 0.5789500000 0.8412300000 0.7155300000  Biso 1.0 O 4 g
V10 1.0000000000 0.6291100000 0.9965900000 0.5377500000  Biso 1.0 V 4 g
V9 1.0000000000 0.8678400000 0.5062600000 0.4571100000  Biso 1.0 V 4 g
