#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/12/2022

data_5yOhtAoR
_audit_creation_date            2022-11-12
_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                    "Sr2 Co1 W1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Chem. Mater."
_citation_journal_volume        15
_citation_page_first            1655
_citation_page_last             1663
_citation_article_id            .
_citation_year                  2003
_citation_DOI                   10.1021/cm0208455

loop_
_citation_author_name
"M. C. Viola"
"M. J. Martinez-Lope"
"J. A. Alonso"
"J. L. Martinez"
"J. M. De Paoli"
"S. Pagola"
"J. C. Pedregosa"
"M. T. Fernandez-Diaz"
"R. E. Carbonio"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  97662
_atomic_positions_source_other               .

_transition_temperature     24
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+ 1 1 . primary 3 .
mY2+ 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard setting P12_1/n1 of the parent space group
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps as primary ones. This means that two order parameters are involved in the sense of Landau theory
;

_parent_space_group.name_H-M_alt  'P 2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a-1/2c,b,c;0,0,0'

_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_space_group_magn.point_group_name  "-11'"
_space_group_magn.point_group_number  "2.2.4"
_cell_length_a                 11.22530
_cell_length_b                 5.58750
_cell_length_c                 15.79880
_cell_angle_alpha              90.00
_cell_angle_beta               90.04
_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,-y,-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,z+1/2,+1 
3 x,y,z+1/2,-1 
4 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
Sr1_1 Sr 0.49895 0.01460 0.12435 1
Sr1_2 Sr 0.75105 0.51460 0.12565 1
Co1_1 Co 0.25000 0.00000 0.25000 1
Co1_2 Co 0.00000 0.50000 0.00000 1
W1_1 W 0.25000 0.00000 0.00000 1
W1_2 W 0.00000 0.50000 0.25000 1
O1_1 O 0.02425 0.49500 0.13005 1
O1_2 O 0.22575 0.99500 0.11995 1
O2_1 O 0.35935 0.26360 0.01255 1
O2_2 O 0.89065 0.76360 0.23745 1
O3_1 O 0.11990 0.22400 0.48740 1
O3_2 O 0.13010 0.72400 0.76260 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 -1.66 -1.66 0.0 mx,my,mz 2.35(3) ? ?
Co1_2 1.66 1.66 0.0 mx,my,mz 2.35(3) ? ?

