# 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:  MoO8V2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB8C2_oC22_35_a_ab3d_d-002

# Last updated on 2024/08/01

data_Mo2O16V4
_pd_phase_name Mo2O16V4
_cell_length_a  19.4000000000
_cell_length_b  3.6200000000
_cell_length_c  4.1300000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cmm2'
_symmetry_Int_Tables_Number  35
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
Mo1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Mo 2 a
O2 1.0000000000 0.0000000000 0.0000000000 0.5838000000  Biso 1.0 O 2 a
O3 1.0000000000 0.0000000000 0.5000000000 0.9580000000  Biso 1.0 O 2 b
O4 1.0000000000 0.8110000000 0.0000000000 0.5461000000  Biso 1.0 O 4 d
O5 1.0000000000 0.9039000000 0.0000000000 0.1220000000  Biso 1.0 O 4 d
O6 1.0000000000 0.7018000000 0.0000000000 0.1399000000  Biso 1.0 O 4 d
V7 1.0000000000 0.8134000000 0.0000000000 0.0038000000  Biso 1.0 V 4 d
