# 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:  Ni3Si2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B2_oC80_36_4a4b_2a3b-001

# Last updated on 2024/08/01

data_Ni48Si32
_pd_phase_name Ni48Si32
_cell_length_a  12.2290100000
_cell_length_b  10.8050000000
_cell_length_c  6.9240000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cmc2_{1}'
_symmetry_Int_Tables_Number  36
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+1/2
  4  -x,y,z
  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+1/2
  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
Ni1 1.0000000000 -0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Ni 4 a
Ni2 1.0000000000 -0.0000000000 0.2345000000 0.0240000000  Biso 1.0 Ni 4 a
Ni3 1.0000000000 -0.0000000000 0.2330000000 0.4000000000  Biso 1.0 Ni 4 a
Ni4 1.0000000000 -0.0000000000 0.3814000000 0.7140000000  Biso 1.0 Ni 4 a
Si10 1.0000000000 -0.0000000000 0.4090000000 0.2180000000  Biso 1.0 Si 4 a
Si9 1.0000000000 -0.0000000000 0.1570000000 0.7120000000  Biso 1.0 Si 4 a
Ni5 1.0000000000 0.6732000000 0.6177000000 0.5180000000  Biso 1.0 Ni 8 b
Ni6 1.0000000000 0.6723000000 0.6189000000 0.9000000000  Biso 1.0 Ni 8 b
Ni7 1.0000000000 0.1972000000 0.2467000000 0.2170000000  Biso 1.0 Ni 8 b
Ni8 1.0000000000 0.1824000000 0.4975000000 0.2250000000  Biso 1.0 Ni 8 b
Si11 1.0000000000 0.6200000000 0.5590000000 0.2140000000  Biso 1.0 Si 8 b
Si12 1.0000000000 0.1520000000 0.3440000000 0.5060000000  Biso 1.0 Si 8 b
Si13 1.0000000000 0.1510000000 0.3430000000 0.9200000000  Biso 1.0 Si 8 b
