#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/22/2021

data_5yOhtAoR
_audit_creation_date            2021-12-22
_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                    "Sr2 Ho Ru O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        16
_citation_page_first            7611
_citation_page_last             7624
_citation_article_id            .
_citation_year                  2004
_citation_DOI                   10.1088/0953-8984/16/43/005

loop_
_citation_author_name
"N. G. Parkinson"
"P. D Hatton"
"J. A. K. Howard"
"C. Ritter"
"R. M. Ibberson"
"M. K. Wu"

_temperature_position_structure         50
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  164512
_atomic_positions_source_other               .

_transition_temperature     34
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+ 1 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Non standard setting P2_1/n of the parent space group
Position structure from a determination at 50K
The positions of Ho and Ru are interchanged with respect to other published structures (see #0.792 and #0.793). The two structural models are not equivalent. They are difficult to distinguish due to the similar values of the a and b parameters.
The moment canting could only be established to be on the plane ab. It is assumed here to be along a in order to maintain the ordering limited to a single irrep and to maximize the MSG.
FM along b.
;

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

_parent_space_group.name_H-M_alt  'P 2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+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,-a+c;0,0,0'

_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P 2_1/c"
_space_group_magn.point_group_name  "2/m"
_space_group_magn.point_group_number  "5.1.12"
_cell_length_a                 5.7573
_cell_length_b                 5.7764
_cell_length_c                 8.1420
_cell_angle_alpha              90.00
_cell_angle_beta               90.36
_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+1/2,+1 
3 -x,-y,-z,+1 
4 x+1/2,-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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.00750 0.03060 0.75520 1
Ho1 Ho 0.50000 0.00000 0.50000 1
Ru1 Ru 0.50000 0.00000 0.00000 1
O1 O 0.30150 0.27760 0.96050 1
O2 O 0.26670 0.29350 0.54030 1
O3 O 0.93290 0.48090 0.73040 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Ho1 0.97(12) 0.0 -7.87(4) mx,my,mz 7.94 ? ?
Ru1 0.22 0.0 -1.79(9) mx,my,mz 1.80 ? ?

