#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:19:55
# Database entry: 2.8 SrHo2O4
# Cif-like file for the case 2.8


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                    'Sr Ho2 O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        89
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            224511
_citation_year                  2014
_citation_DOI                   10.1103/PhysRevB.89.224511

loop_
_citation_author_name
"A. Fennell"
"V.Y. Pomjakushin"
"A. Uldry"
"B. Delley"
"B. Prevost"
"A. Desilets-Benoit"
"A.D. Bianchi"
"R.I. Bewley"
"B.R. Hansen"
"T. Klimczuk"
"R.J. Cava"
"M. Kenzelmann"




_atomic_positions_source_database_code_ICSD   246550
_atomic_positions_source_other               .

_transition_temperature     0.66
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 2 .
mY1 2 2 special primary 6 .
mGM1- 1 1 . secondary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
k=0 ordering is mainly associated with Ho1, and k different from zero with Ho2.
Relative sign of the weak mz component of Ho2 atoms with respect to that in Ho1 atoms is not reported. An arbitrary one has been taken.
Quasi-long range magnetic structure.
Non-standard parent setting Pnam.
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal magnetic symmetry
2 primary irreps
Symmetry allows linear magnetolelectricity
;

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

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]
k2 [0 0 1/2]

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


_space_group_magn.number_BNS  14.78
_space_group_magn.name_BNS  "P  2_1/c'  "
_space_group_magn.point_group_name  "2/m'"
_space_group_magn.point_group_number  "5.4.15"
_cell_length_a                 10.06740
_cell_length_b                 11.91040
_cell_length_c                 6.81740
_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+1/2,y+1/2,-z,+1
3 -x,-y,-z,-1
4 x+1/2,-y+1/2,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
Sr1_1 Sr 0.75250 0.64980 0.12500 1
Sr1_2 Sr 0.74750 0.14980 0.37500 1
Ho1_1 Ho 0.42330 0.11040 0.12500 1
Ho1_2 Ho 0.07670 0.61040 0.37500 1
Ho2_1 Ho 0.42210 0.61260 0.12500 1
Ho2_2 Ho 0.07790 0.11260 0.37500 1
O1_1 O 0.21180 0.17550 0.12500 1
O1_2 O 0.28820 0.67550 0.37500 1
O2_1 O 0.12540 0.48100 0.12500 1
O2_2 O 0.37460 0.98100 0.37500 1
O3_1 O 0.51420 0.78400 0.12500 1
O3_2 O 0.98580 0.28400 0.37500 1
O4_1 O 0.42540 0.42230 0.12500 1
O4_2 O 0.07460 0.92230 0.37500 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 0.0 0.0 6.08(3) mx,my,mz
Ho1_2 0.0 0.0 -6.08(3) mx,my,mz
Ho2_1 0.0 -7.74(3) 0.13(3) mx,my,mz
Ho2_2 0.0 7.74(3) -0.13(3) mx,my,mz

