# 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:  HoMn2O5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C5_oP32_55_g_eh_fghi-001

# Last updated on 2024/08/01

data_Ho4Mn8O20
_pd_phase_name Ho4Mn8O20
_cell_length_a  7.3600000000
_cell_length_b  8.4900000000
_cell_length_c  5.6900000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pbam'
_symmetry_Int_Tables_Number  55
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
  5  -x,-y,-z
  6  x,y,-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
Mn2 1.0000000000 0.0000000000 -0.0000000000 0.2500000000  Biso 1.0 Mn 4 e
O4 1.0000000000 0.0000000000 0.5000000000 0.2500000000  Biso 1.0 O 4 f
Ho1 1.0000000000 0.1430000000 0.6720000000 0.0000000000  Biso 1.0 Ho 4 g
O5 1.0000000000 0.1400000000 0.9400000000 0.0000000000  Biso 1.0 O 4 g
Mn3 1.0000000000 0.0900000000 0.3480000000 0.5000000000  Biso 1.0 Mn 4 h
O6 1.0000000000 0.1400000000 0.9400000000 0.5000000000  Biso 1.0 O 4 h
O7 1.0000000000 0.1000000000 0.2200000000 0.2500000000  Biso 1.0 O 8 i
