# 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:  BiMn7O12

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB7C12_aP20_1_a_7a_12a-001 

# Last updated on 2025/06/11

data_BiMn7O12
_pd_phase_name BiMn7O12
_cell_length_a  6.4103300000
_cell_length_b  6.4379200000
_cell_length_c  6.5036500000
_cell_angle_alpha  108.8596000000
_cell_angle_beta  108.5971000000
_cell_angle_gamma  110.3660000000
_symmetry_space_group_name_H-M  'P1'
_symmetry_Int_Tables_Number  1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,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
Bi1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Bi 1 a
Mn2 1.0000000000 0.5171000000 0.9595000000 0.5196000000  Biso 1.0 Mn 1 a
Mn3 1.0000000000 0.5029000000 0.4600000000 0.0185000000  Biso 1.0 Mn 1 a
Mn4 1.0000000000 0.0022000000 0.4513000000 0.5063000000  Biso 1.0 Mn 1 a
Mn5 1.0000000000 0.5210000000 0.4566000000 0.5220000000  Biso 1.0 Mn 1 a
Mn6 1.0000000000 0.0045000000 0.9576000000 0.5052000000  Biso 1.0 Mn 1 a
Mn7 1.0000000000 0.0136000000 0.4868000000 0.0247000000  Biso 1.0 Mn 1 a
Mn8 1.0000000000 0.4926000000 0.9481000000 0.0069000000  Biso 1.0 Mn 1 a
O9  1.0000000000 0.8300000000 0.2520000000 0.1359000000  Biso 1.0 O  1 a
O10 1.0000000000 0.1610000000 0.6290000000 0.8551000000  Biso 1.0 O  1 a
O11 1.0000000000 0.1780000000 0.2630000000 0.5028000000  Biso 1.0 O  1 a
O12 1.0000000000 0.8220000000 0.6410000000 0.4928000000  Biso 1.0 O  1 a
O13 1.0000000000 0.8640000000 0.1060000000 0.6840000000  Biso 1.0 O  1 a
O14 1.0000000000 0.5400000000 0.7770000000 0.7100000000  Biso 1.0 O  1 a
O15 1.0000000000 0.1666000000 0.8030000000 0.3696000000  Biso 1.0 O  1 a
O16 1.0000000000 0.5312000000 0.1470000000 0.3486000000  Biso 1.0 O  1 a
O17 1.0000000000 0.3030000000 0.4340000000 0.1851000000  Biso 1.0 O  1 a
O18 1.0000000000 0.6650000000 0.8205000000 0.1613000000  Biso 1.0 O  1 a
O19 1.0000000000 0.6925000000 0.4720000000 0.8658000000  Biso 1.0 O  1 a
O20 1.0000000000 0.3175000000 0.0740000000 0.8428000000  Biso 1.0 O  1 a
