# 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:  O2Sb clinocervantite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B_mC24_15_2f_ae-001

# Last updated on 2024/08/01

data_O16Sb8
_pd_phase_name O16Sb8
_cell_length_a  14.2276287961
_cell_length_b  4.8360000000
_cell_length_c  12.0403439353
_cell_angle_alpha  90.0000000000
_cell_angle_beta  158.3396065290
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/c'
_symmetry_Int_Tables_Number  15
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
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z+1/2
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-y+1/2,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
Sb3 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Sb 4 a
Sb4 1.0000000000 0.0000000000 0.4649000000 0.2500000000  Biso 1.0 Sb 4 e
O1 1.0000000000 0.7328000000 0.8017000000 0.7910000000  Biso 1.0 O 8 f
O2 1.0000000000 0.1210000000 0.1622000000 0.2771000000  Biso 1.0 O 8 f
