#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/22/2022

data_5yOhtAoR
_audit_creation_date            2022-11-22
_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                    "Ba3 La1 Ru2 O9"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        4
_citation_page_first            .
_citation_page_last             .
_citation_article_id            064409
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevMaterials.4.064409

loop_
_citation_author_name
"Q. Chen"
"A. Verrier"
"D. Ziat"
"A. J. Clune"
"R. Rouane"
"X. Bazier-Matte"
"G. Wang"
"S. Calder"
"K. M. Taddei"
"C. R. dela Cruz"
"A. I. Kolesnikov"
"J. Ma"
"J.-G. Cheng"
"Z. Liu"
"J. A. Quilliam"
"J. L. Musfeldt"
"H. D. Zhou"
"A. A. Acze"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  28113
_atomic_positions_source_other               .

_transition_temperature     26(1)
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM2+ 3 1 . primary 2 .
mM3+ 3 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
The paper states that the propagation vector is (0, 1/2, 0), but in fact the reported model has as propagation vector (1/2,0,0) with the monoclinic axis of the MSG along the direction (2,1,0). This a domain-equivalent arrangement to one with k=(0,1/2,0), where the monoclinic axis would be along (1,2,0) and the non-zero component on the xy plane would be along x (see #1.94).
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two primary irreps involved to produce a collinear arrangement on the plane xz along an arbitrary direction.
The active irreps have 3 k-vectors. Multi-k arrangements involving more than one of these k-vectos, which could equally fit the data, are not discussed.
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  14.84
_space_group_magn.name_BNS  "P_C 2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 11.90200
_cell_length_b                 5.95100
_cell_length_c                 15.00870
_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 x+1/2,2x-y,-z+1/2,+1 
3 -x,-y,-z,+1 
4 -x+1/2,-2x+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+1/2,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
Ru1 Ru 0.16667 0.66667 0.16460 1
Ba1 Ba 0.00000 0.00000 0.25000 1
Ba2 Ba 0.16667 0.66667 0.89100 1
La1 La 0.00000 0.00000 0.00000 1
O1_1 O 0.24330 0.97320 0.25000 1
O1_2 O 0.51340 0.51340 0.25000 1
O2_1 O 0.08935 0.35740 0.40457 1
O2_2 O 0.82130 0.82130 0.40457 1
O2_3 O 0.08935 0.82130 0.40457 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 -1.23(9) -0.5(1) mx,my,mz 1.3(1) ? ?

