#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:49:27
# Database entry: 0.33 HoMnO3
# Cif-like file for the case 0.33


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        "Chem. Mater."
_citation_journal_volume        13
_citation_page_first            1497
_citation_page_last             1505
_citation_article_id            .
_citation_year                  2001
_citation_DOI                   10.1021/cm0012264

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






_atomic_positions_source_database_code_ICSD   92838
_atomic_positions_source_other               .

_transition_temperature     25.4
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
modulus magnetic moment Mn: 3.05(2)
modulus magnetic moment Ho2: 2.87(3)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
zero moment of Ho1 forced by symmetry
;

_parent_space_group.name_H-M_alt  'P  6_3c  m'
_parent_space_group.IT_number                       185
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  185.197
_space_group_magn.name_BNS  "P  6_3c  m"
_space_group_magn.point_group_name  "6mm"
_space_group_magn.point_group_number  "25.1.91"
_cell_length_a                 6.14130
_cell_length_b                 6.14130
_cell_length_c                 11.41220
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x-y,x,z+1/2,+1
3 -y,x-y,z,+1
4 -x,-y,z+1/2,+1
5 -x+y,-x,z,+1
6 y,-x+y,z+1/2,+1
7 -x+y,y,z+1/2,+1
8 -y,-x,z+1/2,+1
9 x,x-y,z+1/2,+1
10 -x,-x+y,z,+1
11 x-y,-y,z,+1
12 y,x,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,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
Ho1 Ho 0.00000 0.00000 0.27310 1
Ho2 Ho 0.333333 0.666667 0.23060 1
Mn1 Mn 0.32240 0.00000 0.00000 1
O1 O 0.30540 0.00000 0.16000 1
O2 O 0.64330 0.00000 0.33260 1
O3 O 0.00000 0.00000 0.47630 1
O4 O 0.333333 0.666667 0.01700 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
Ho1 0 0 0 0,0,0
Ho2 0.0 0.0 2.87 0,0,mz
Mn1 1.76 3.52 0.0 mx,2mx,0

