# 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 (monoclinice)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB7C12_mC40_8_a_3a2b_4a4b-001 

# Last updated on 2025/06/11

data_BiMn7O12
_pd_phase_name BiMn7O12
_cell_length_a  10.5296229535
_cell_length_b  7.3840000000
_cell_length_c  7.5351000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  134.4547720103
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cm'
_symmetry_Int_Tables_Number  8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,z
  3  x+1/2,y+1/2,z
  4  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
Bi1 1.0000000000 0.0173000000 0.0000000000 0.9889000000  Biso 1.0 Bi 2 a
Mn2 1.0000000000 0.4951000000 0.0000000000 0.4921000000  Biso 1.0 Mn 2 a
Mn3 1.0000000000 0.5019000000 0.0000000000 0.0022000000  Biso 1.0 Mn 2 a
Mn4 1.0000000000 0.9978000000 0.0000000000 0.5023000000  Biso 1.0 Mn 2 a
O7  1.0000000000 0.6827000000 0.0000000000 0.8461000000  Biso 1.0 O  2 a
O8  1.0000000000 0.6755000000 0.0000000000 0.4839000000  Biso 1.0 O  2 a
O9  1.0000000000 0.3031000000 0.0000000000 0.1289000000  Biso 1.0 O  2 a
O10 1.0000000000 0.3094000000 0.0000000000 0.4842000000  Biso 1.0 O  2 a
Mn5 1.0000000000 0.2540000000 0.7419000000 0.9998000000  Biso 1.0 Mn 4 b
Mn6 1.0000000000 0.2459000000 0.2493000000 0.4983000000  Biso 1.0 Mn 4 b
O11 1.0000000000 0.8282000000 0.3086000000 0.8372000000  Biso 1.0 O  4 b
O12 1.0000000000 0.4895000000 0.3259000000 0.6814000000  Biso 1.0 O  4 b
O13 1.0000000000 0.6765000000 0.1830000000 0.1598000000  Biso 1.0 O  4 b
O14 1.0000000000 0.0112000000 0.1800000000 0.3316000000  Biso 1.0 O  4 b
