# 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:  BiNi

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A16B17_mC66_12_4i2j_aeh4ij-001

# Last updated on 2024/08/02

data_Bi32Ni34
_pd_phase_name Bi32Ni34
_cell_length_a  14.1240000000
_cell_length_b  8.1621000000
_cell_length_c  12.8324700000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  123.3891500000
_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
Ni7 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Ni 2 a
Ni8 1.0000000000 0.2500000000 0.2500000000 -0.0000000000  Biso 1.0 Ni 4 e
Ni9 1.0000000000 0.0000000000 0.7558000000 0.5000000000  Biso 1.0 Ni 4 h
Bi1 1.0000000000 0.4128000000 -0.0000000000 0.1260200000  Biso 1.0 Bi 4 i
Bi2 1.0000000000 0.8959700000 -0.0000000000 0.1266800000  Biso 1.0 Bi 4 i
Bi3 1.0000000000 0.8470700000 0.0000000000 0.3763400000  Biso 1.0 Bi 4 i
Bi4 1.0000000000 0.3544500000 0.0000000000 0.3775000000  Biso 1.0 Bi 4 i
Ni10 1.0000000000 0.1255000000 0.0000000000 0.2472000000  Biso 1.0 Ni 4 i
Ni11 1.0000000000 0.2454000000 0.0000000000 0.4958000000  Biso 1.0 Ni 4 i
Ni12 1.0000000000 0.2286000000 -0.0000000000 0.1238000000  Biso 1.0 Ni 4 i
Ni13 1.0000000000 0.0191000000 0.0000000000 0.3714000000  Biso 1.0 Ni 4 i
Bi5 1.0000000000 0.1377800000 0.2741200000 0.1248400000  Biso 1.0 Bi 8 j
Bi6 1.0000000000 0.1084200000 0.7401000000 0.3746200000  Biso 1.0 Bi 8 j
Ni14 1.0000000000 0.8744000000 0.7454000000 0.2500000000  Biso 1.0 Ni 8 j
