#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/04/2021

data_5yOhtAoR
_audit_creation_date            2021-04-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        102
_citation_page_first            .
_citation_page_last             .
_citation_article_id            134412
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.102.134412

loop_
_citation_author_name
"S. Sharma"
"D. T. Adroja"
"C. Ritter"
"D. Khalyavin"
"P. Manuel"
"G. B. G. Stenning"
"A. Sundaresan"
"A. D. Hillier"
"P. P. Deen"
"D. I. Khomskii"
"S. Langridge"

_atomic_positions_source_database_code_ICSD  55716
_atomic_positions_source_other               .

_temperature_position_structure         .
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    100
_temperature_cell_parameters            2

_transition_temperature  36
_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 parent setting P112_1/n
Position structure, except cell parameters, is not provided. Here the one reported by another study at 100K is considered, conveniently transformed to the different setting being used.
The moment values are given in spherical coordinates and the angle Phi value is temperature dependent and only its range 45-51 degrees is given. We have assumed that the largest angle 51 degrees happens at 2K.
Two transition temperatures are observed at 42K and 36K
FM along c
;

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

_parent_space_group.name_H-M_alt  'P112_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,-c,-a+b;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,-c,-a+b;0,0,0'

_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P 2_1/c"
_cell_length_a             5.7305(2)
_cell_length_b             8.1021(3)
_cell_length_c             5.7360(2)
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.20(2)

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
Sr1 Sr 0.00550 0.24800 0.02580
Yb1 Yb 0.50000 0.00000 0.00000
Ru1 Ru 0.00000 0.00000 0.50000
O1 O 0.26890 0.03450 0.29610
O2 O 0.20180 0.03350 0.77060
O3 O 0.93630 0.23780 0.48760

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
Yb1 0.34 0.42 0.00000 mx,my,mz  0.54(1)
Ru1 1.32 1.63 0.00000 mx,my,mz  2.10(1)

