#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/01/2022

data_5yOhtAoR
_audit_creation_date            2022-11-01
_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                    "Rb1 Ru1 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        59
_citation_page_first            2791
_citation_page_last             2802
_citation_article_id            .
_citation_year                  2020
_citation_DOI                   10.1021/acs.inorgchem.9b03118

loop_
_citation_author_name
"S. Injac"
"A. K. L. Yuen"
"M. Avdeev"
"C.-H. Wang"
"P. Turner"
"H. E. A. Brand"
"B. J. Kennedy"

_temperature_position_structure         298
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  131670
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature unknown
Positional structure from a determination at 298K
The relative value of mx with respect to the mz component in the figure of the paper is smaller than the values given in the text. Here the values in the paper text have been assumed correct. The relative sign of the two components has been taken from the figure.
;

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

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.449
_space_group_magn.name_BNS  "P n' m' a'"
_space_group_magn.point_group_name  "m'm'm'"
_space_group_magn.point_group_number  "8.5.28"
_cell_length_a                 5.50820
_cell_length_b                 5.75020
_cell_length_c                 13.76830
_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+1/2,+1 
3 -x,y+1/2,-z,+1 
4 -x+1/2,-y,z+1/2,+1 
5 -x,-y,-z,-1 
6 -x+1/2,y+1/2,z+1/2,-1 
7 x,-y+1/2,z,-1 
8 x+1/2,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
Rb1 Rb 0.02640 0.25000 0.12500 1
Ru1 Ru 0.96160 0.25000 0.62500 1
O1 O 0.16390 0.25000 0.91800 1
O2 O 0.64280 0.25000 0.98010 1
O3 O 0.98050 0.99460 0.31280 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
Ru1 -0.21(9) 0.0 0.77(24) mx,0,mz 0.80 ? ?

