#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:06:22
# Database entry: 1.20 HoMnO3
# Cif-like file for the case 1.20


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Ho Mn O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        40
_citation_page_first            1020
_citation_page_last             1028
_citation_article_id            .
_citation_year                  2001
_citation_DOI                   10.1021/ic0011009

loop_
_citation_author_name
"A. Munoz"
"M.T. Casais"
"J.A. Alonso"
"M.J. Martinez-Lope"
"J.L. Martinez"
"M.T. Fernandez-Diaz"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     29
_experiment_temperature     24.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX1 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
Polar symmetry
Multiferroic
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-b,a,c;1/8,1/4,0'


_space_group_magn.number_BNS  31.129
_space_group_magn.name_BNS  "P_b  m  n  2_1"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 11.67080
_cell_length_b                 7.36060
_cell_length_c                 5.25720
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+1/4,-y,z+1/2,+1
3 x,-y+1/2,z,+1
4 -x+1/4,y+1/2,z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho Ho 0.04195 0.25000 0.98250 1
Ho_1 Ho 0.95805 0.75000 0.01750 1
Mn Mn 0.00000 0.00000 0.50000 1
O1 O 0.23110 0.25000 0.11130 1
O1_1 O 0.7689 0.75000 0.88870 1
O2 O 0.16405 0.05340 0.70130 1
O2_1 O 0.83595 0.55340 0.29870 1

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn 3.87 0.0 0.0 mx,my,mz

