# 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:  Al13Fe4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A13B4_mC102_12_ah8i5j_4ij-001

# Last updated on 2024/08/02

data_Al78Fe24
_pd_phase_name Al78Fe24
_cell_length_a  15.4890000000
_cell_length_b  8.0831000000
_cell_length_c  12.4760000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  107.7166700000
_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
Al1 1.0000000000 -0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Al 2 a
Al2 1.0000000000 -0.0000000000 0.7440000000 0.5000000000  Biso 1.0 Al 4 h
Al10 1.0000000000 0.4140000000 0.0000000000 0.7190000000  Biso 1.0 Al 4 i
Al3 1.0000000000 0.4360000000 0.0000000000 0.3270000000  Biso 1.0 Al 4 i
Al4 1.0000000000 0.1780000000 0.0000000000 0.2230000000  Biso 1.0 Al 4 i
Al5 1.0000000000 0.2650000000 0.0000000000 0.9610000000  Biso 1.0 Al 4 i
Al6 1.0000000000 0.4190000000 -0.0000000000 0.9180000000  Biso 1.0 Al 4 i
Al7 1.0000000000 0.2690000000 0.0000000000 0.5280000000  Biso 1.0 Al 4 i
Al8 1.0000000000 0.0200000000 0.0000000000 0.6730000000  Biso 1.0 Al 4 i
Al9 1.0000000000 0.1900000000 0.0000000000 0.7310000000  Biso 1.0 Al 4 i
Fe16 1.0000000000 0.4140000000 0.0000000000 0.1170000000  Biso 1.0 Fe 4 i
Fe17 1.0000000000 0.0990000000 0.0000000000 0.8760000000  Biso 1.0 Fe 4 i
Fe18 1.0000000000 0.4100000000 -0.0000000000 0.5110000000  Biso 1.0 Fe 4 i
Fe19 1.0000000000 0.1000000000 0.0000000000 0.5150000000  Biso 1.0 Fe 4 i
Al11 1.0000000000 0.8120000000 0.7160000000 0.3890000000  Biso 1.0 Al 8 j
Al12 1.0000000000 0.6270000000 0.7110000000 0.3930000000  Biso 1.0 Al 8 j
Al13 1.0000000000 0.8240000000 0.7160000000 0.1660000000  Biso 1.0 Al 8 j
Al14 1.0000000000 0.5050000000 0.7830000000 0.1710000000  Biso 1.0 Al 8 j
Al15 1.0000000000 0.6340000000 0.7230000000 0.0210000000  Biso 1.0 Al 8 j
Fe20 1.0000000000 0.6820000000 0.7850000000 0.2230000000  Biso 1.0 Fe 8 j
