#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:50:03
# Database entry: 0.42 HoMnO3
# Cif-like file for the case 0.42


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        "J. Phys.: Condens. Matter"
_citation_journal_volume        18
_citation_page_first            10085
_citation_page_last             10096
_citation_article_id            .
_citation_year                  2006
_citation_DOI                   10.1088/0953-8984/18/44/008

loop_
_citation_author_name
"P.J. Brown"
"T. Chatterji"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     70
_experiment_temperature     50

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? . .

_exptl_crystal_magnetic_properties_details
;
polarized neutron diffraction - single crystal
mz assigned to Ho2 changed to Ho1, to make it
consistent with reported symmetry, and with text
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
;

_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  185.199
_space_group_magn.name_BNS  "P  6_3'c'  m"
_space_group_magn.point_group_name  "6'mm'"
_space_group_magn.point_group_number  "25.3.93"
_cell_length_a                 6.2
_cell_length_b                 6.2
_cell_length_c                 11.4
_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 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 -x,-x+y,z,+1
5 x-y,-y,z,+1
6 y,x,z,+1
7 x-y,x,z+1/2,-1
8 -x,-y,z+1/2,-1
9 y,-x+y,z+1/2,-1
10 -x+y,y,z+1/2,-1
11 -y,-x,z+1/2,-1
12 x,x-y,z+1/2,-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 0.2794 1
Ho2 Ho 0.333333 0.666667 0.2353 1
Mn1 Mn 0.3337 0.00000 0.00000 1
O1 O 0.3071 0.00000 0.1654 1
O2 O 0.6404 0.00000 0.3381 1
O3 O 0.00000 0.00000 0.4183 1
O4 O 0.33333 0.66667 0.0232 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 0.27(8) 0,0,mz
Mn1 1.42 2.84 0.0 mx,2mx,0

