#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:12:58
# Database entry: 1.109 HoMn2O5
# Cif-like file for the case 1.109


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 Mn2 O5'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        71
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214402
_citation_year                  2005
_citation_DOI                   10.1103/PhysRevB.71.214402

loop_
_citation_author_name
"G.R. Blake"
"L.C. Chapon"
"P.G. Radaelli"
"S. Park"
"N. Hur"
"S.-W. Cheong"
"J. Rodriguez-Carvajal"


_atomic_positions_source_database_code_ICSD   84354
_atomic_positions_source_other               .

_transition_temperature     40
_experiment_temperature     26

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mG1 4 2 general primary 36 .

_exptl_crystal_magnetic_properties_details
;
NPD
Magnitudes moments: Mn1 2.20(9); Mn2 2.53(9); Ho1_1/Ho1_2 1.86(29); Ho1_3/Ho1_4 1.32(23)
The phase is known to be ferroelectric/polar along the y axis.
The low symmetry of the model is not consistent with the polarity being restricted to the y axis. The whole plane xy would be polar.
10 spin parameters refined (36 are symmetry allowed).
;

_active_magnetic_irreps_details
;
1k magnetic structure
Model of higher symmetry (C_amc2_1; c,a,b;3/8,0,0) close to the reported spin arrangement, consistent with the polarity along the y direction and with the active irrep, seems not to have been tested.
Only one irrep exists for this propagation vector.
Multiferroic type II
;

_parent_space_group.name_H-M_alt  'P  b  a  m'
_parent_space_group.IT_number                       55
_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 1/4]

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


_space_group_magn.number_BNS  8.36
_space_group_magn.name_BNS  "C_a  m"
_space_group_magn.point_group_name  "m1'"
_space_group_magn.point_group_number  "4.2.10"
_cell_length_a                 14.52860
_cell_length_b                 8.47680
_cell_length_c                 22.68000
_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,y,-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+1/2,+1
3 x,y,z+1/2,-1
4 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
Ho1_1 Ho 0.06835 0.17140 0.00000 1
Ho1_2 Ho 0.93165 0.82860 0.00000 1
Ho1_3 Ho 0.18165 0.67140 0.00000 1
Ho1_4 Ho 0.31835 0.32860 0.00000 1
Ho1_5 Ho 0.06835 0.17140 0.25000 1
Ho1_6 Ho 0.93165 0.82860 0.25000 1
Ho1_7 Ho 0.18165 0.67140 0.25000 1
Ho1_8 Ho 0.31835 0.32860 0.25000 1
Mn1_1 Mn 0.00000 0.50000 0.06527 1
Mn1_2 Mn 0.25000 0.00000 0.93473 1
Mn1_3 Mn 0.00000 0.50000 0.31527 1
Mn1_4 Mn 0.25000 0.00000 0.18473 1
Mn2_1 Mn 0.20630 0.34960 0.12500 1
Mn2_2 Mn 0.79370 0.65040 0.12500 1
Mn2_3 Mn 0.04370 0.84960 0.12500 1
Mn2_4 Mn 0.45630 0.15040 0.12500 1
O1_1 O 0.00000 0.00000 0.06755 1
O1_2 O 0.25000 0.50000 0.93245 1
O1_3 O 0.00000 0.00000 0.31755 1
O1_4 O 0.25000 0.50000 0.18245 1
O2_1 O 0.08185 0.44380 0.00000 1
O2_2 O 0.91815 0.55620 0.00000 1
O2_3 O 0.16815 0.94380 0.00000 1
O2_4 O 0.33185 0.05620 0.00000 1
O2_5 O 0.08185 0.44380 0.25000 1
O2_6 O 0.91815 0.55620 0.25000 1
O2_7 O 0.16815 0.94380 0.25000 1
O2_8 O 0.33185 0.05620 0.25000 1
O3_1 O 0.07515 0.43000 0.12500 1
O3_2 O 0.92485 0.57000 0.12500 1
O3_3 O 0.17485 0.93000 0.12500 1
O3_4 O 0.32515 0.07000 0.12500 1
O4_1 O 0.19740 0.20630 0.06143 1
O4_2 O 0.80260 0.79370 0.06143 1
O4_3 O 0.05260 0.70630 0.93858 1
O4_4 O 0.44740 0.29370 0.93858 1
O4_5 O 0.19740 0.20630 0.31143 1
O4_6 O 0.80260 0.79370 0.31143 1
O4_7 O 0.05260 0.70630 0.18857 1
O4_8 O 0.44740 0.29370 0.18857 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_1 1.12 -1.48 0.0 mx,my,0
Ho1_2 -1.12 1.48 0.0 mx,my,0
Ho1_3 1.17 0.62 0.0 mx,my,0
Ho1_4 1.17 0.62 0.0 mx,my,0
Ho1_5 0.0 0.0 0.0 0,0,mz
Ho1_6 0.0 0.0 0.0 0,0,mz
Ho1_7 0.0 0.0 0.0 0,0,mz
Ho1_8 0.0 0.0 0.0 0,0,mz
Mn1_1 -2.16 0.42 0.0 mx,my,mz
Mn1_2 -2.09 0.68 0.0 mx,my,mz
Mn1_3 2.16 -0.42 0.0 mx,my,mz
Mn1_4 -2.09 0.68 0.0 mx,my,mz
Mn2_1 2.43 -0.7 0.0 mx,my,mz
Mn2_2 2.43 -0.7 0.0 mx,my,mz
Mn2_3 2.53 0.1 0.0 mx,my,mz
Mn2_4 2.53 0.1 0.0 mx,my,mz

