#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/08/2024 

data_5yOhtAoR
_audit_creation_date            2024-05-08
_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                    "Co1 D6 C2 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Acta Cryst. B"
_citation_journal_volume        80
_citation_page_first            430
_citation_page_last             442
_citation_article_id            .
_citation_year                  2024
_citation_DOI                   10.1107/S2052520624008023

loop_
_citation_author_name
"S. Calder"
"R. Baral"
"C. C. Buchanan"
"D. A. Gilbert"
"R. J. Terry"
"J. W. Kolisd"
"L. D. Sanjeewa"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     5.2
_experiment_temperature     1.5

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
FM component along b
;

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

_parent_space_group.name_H-M_alt  'P 2_1/c'
_parent_space_group.IT_number                       14
_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  14.75
_space_group_magn.name_BNS  "P 2_1/c.1"
_space_group_magn.point_group_name  "2/m.1"
_space_group_magn.point_group_number  "5.1.12"
_cell_length_a                 8.67000
_cell_length_b                 7.11305
_cell_length_c                 9.28988
_cell_angle_alpha              90.0000
_cell_angle_beta               97.4666
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,y+1/2,-z+1/2,+1 
3 -x,-y,-z,+1 
4 x,-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
_atom_site_occupancy
Co1 Co 0.00000 0.00000 0.00000 1
Co2 Co 0.50000 0.00000 0.50000 1
O1 O 0.44160 0.26640 0.42130 1
O2 O 0.79130 0.66570 0.49560 1
O3 O 0.90790 0.26880 0.59950 1
O4 O 0.90080 0.10810 0.79380 1
O5 O 0.27760 0.97480 0.57400 1
O6 O 0.59330 0.11510 0.68850 1
C1 C 0.67710 0.61980 0.56500 1
C2 C 0.96410 0.21840 0.72020 1
D1 D 0.32570 0.52690 0.38640 1
D2 D 0.06890 0.28570 0.76690 1
D3 D 0.21300 0.87910 0.51290 1
D4 D 0.23640 0.09520 0.55300 1
D5 D 0.70160 0.09870 0.73230 1
D6 D 0.53740 0.14700 0.76600 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 1.71(7) -0.82(15) 1.61(12) mx,my,mz 2.34(9) ? ?
Co2 -0.08(7) 0.0 -1.17(13) mx,my,mz 1.2(1) ? ?


