#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/30/2025

data_5yOhtAoR
_audit_creation_date            2025-01-30
_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                    "Ru1 P3 Si1 O11"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Nature Communications"
_citation_journal_volume        15
_citation_page_first            .
_citation_page_last             .
_citation_article_id            9778
_citation_year                  2024
_citation_DOI                   10.1038/s41467-024-53900-3

loop_
_citation_author_name
"Aly. H. Abdeldaim"
"Hlynur Gretarsson"
"Sarah J. Day"
"M. Duc Le",
"Gavin B. G. Stenning"
"Pascal Manuel"
"Robin S. Perry"
"Alexander A. Tsirlin"
"Gøran J. Nilsen"
"Lucy Clark"

_temperature_position_structure         2.5
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     1.3
_experiment_temperature     0.08

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

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 2.5K
;

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

_parent_space_group.name_H-M_alt  'R -3 c'
_parent_space_group.IT_number                       167
_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  167.106
_space_group_magn.name_BNS  "R -3' c'"
_space_group_magn.point_group_name  "-3'm'"
_space_group_magn.point_group_number  "20.4.74"
_cell_length_a                 8.2297
_cell_length_b                 8.2297
_cell_length_c                 39.20
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -y,x-y,z,+1 
3 -x+y,-x,z,+1 
4 x-y,-y,-z+1/2,+1 
5 y,x,-z+1/2,+1 
6 -x,-x+y,-z+1/2,+1 
7 -x,-y,-z,-1 
8 y,-x+y,-z,-1 
9 x-y,x,-z,-1 
10 -x+y,y,z+1/2,-1 
11 -y,-x,z+1/2,-1 
12 x,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+1/3,y+2/3,z+2/3,+1 
3 x+2/3,y+1/3,z+1/3,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ru1 Ru 0.00000 0.00000 0.15830 1
P1 P 0.37200 0.03810 0.11960 1
Si1 Si 0.00000 0.00000 0.03970 1
O1 O 0.04840 0.20420 0.05330 1
O2 O 0.22730 0.08770 0.12730 1
O3 O 0.13770 0.23160 0.18910 1
O4 O 0.79200 0.00000 0.25000 1
O5 O 0.00000 0.00000 0.00000 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 0.0 0.0 0.35(1) 0,0,mz 0.35(1) ? ?

