# 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:  O9P2VZn2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A9B2CD2_tI56_108_a2cd_c_a_c-001

# Last updated on 2024/08/01

data_O36P8V4Zn8
_pd_phase_name O36P8V4Zn8
_cell_length_a  8.9227000000
_cell_length_b  8.9227000000
_cell_length_c  9.0390000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'I4cm'
_symmetry_Int_Tables_Number  108
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y,x,z
  4  y,-x,z
  5  x,-y,z+1/2
  6  -x,y,z+1/2
  7  -y,-x,z+1/2
  8  y,x,z+1/2
  9  x+1/2,y+1/2,z+1/2
  10  -x+1/2,-y+1/2,z+1/2
  11  -y+1/2,x+1/2,z+1/2
  12  y+1/2,-x+1/2,z+1/2
  13  x+1/2,-y+1/2,z
  14  -x+1/2,y+1/2,z
  15  -y+1/2,-x+1/2,z
  16  y+1/2,x+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 0.0000000000 0.0000000000 0.4275000000  Biso 1.0 O 4 a
V6 1.0000000000 0.0000000000 0.0000000000 0.1011000000  Biso 1.0 V 4 a
O2 1.0000000000 0.6518000000 0.1518000000 0.4690000000  Biso 1.0 O 8 c
O3 1.0000000000 0.1040000000 0.6040000000 0.2369000000  Biso 1.0 O 8 c
P5 1.0000000000 0.6933500000 0.1933500000 0.6204000000  Biso 1.0 P 8 c
Zn7 1.0000000000 0.6181000000 0.1181000000 0.2634800000  Biso 1.0 Zn 8 c
O4 1.0000000000 0.8271000000 0.1355000000 0.1548000000  Biso 1.0 O 16 d
