#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/20/2021 

data_5yOhtAoR
_audit_creation_date            2021-10-20
_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 Co Ru2 O9"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "JOURNAL OF SOLID STATE CHEMISTRY"
_citation_journal_volume        89
_citation_page_first            174
_citation_page_last             183
_citation_article_id            .
_citation_year                  1990
_citation_DOI                   10.1016/0022-4596(90)90309-L

loop_
_citation_author_name
"P. Lightfoot"
"P. D. Battle"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  69092
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+ 1 1 . primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature is not specified
;

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

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  62.454
_space_group_magn.name_BNS  "P_B n m a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 5.74560
_cell_length_b                 9.91770
_cell_length_c                 14.08620
_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,z+1/2,+1 
4 x+1/2,-y+1/2,-z,+1 
5 -x,-y,-z,+1 
6 x+1/2,-y+1/2,z+1/2,+1 
7 x,y,-z+1/2,+1 
8 -x+1/2,y+1/2,z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y+1/2,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
Ba1 Ba 0.00000 0.00000 0.25000 1
Ba2 Ba 0.00000 0.33420 0.08970 1
Co1 Co 0.00000 0.00000 0.00000 1
Ru1 Ru 0.00000 0.32840 0.84500 1
O1 O 0.00000 0.51360 0.25000 1
O2 O 0.27000 0.24770 0.25000 1
O3 O 0.00000 0.83350 0.08330 1
O4 O 0.25470 0.08920 0.08330 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
Co1 0.0 2.7(4) 0.0 0,my,mz 2.7(4) ? ?
Ru1 0.0 -1.44(5) 0.0 0,my,mz 1.44(5) ? ?

