#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/06/2022 

data_5yOhtAoR
_audit_creation_date            2022-02-06
_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                    "Co Nb2 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        12
_citation_page_first            113
_citation_page_last             116
_citation_article_id            .
_citation_year                  1973
_citation_DOI                   10.1016/0038-1098(73)90517-6

loop_
_citation_author_name
"H. Weitzel"
"S. Klein"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .


_atomic_positions_source_database_code_ICSD  15854
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ1 2 2 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature by another work
Transition temperature is not specified
Co moment magnitude is not specified. Here an arbitrary unit value is used.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction
;

_parent_space_group.name_H-M_alt  'P b c n'
_parent_space_group.IT_number                       60
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,a,b;0,0,1/4'

_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 14.14750
_cell_length_b                 5.71200
_cell_length_c                 10.08920
_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 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y,z+1/2,-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 0.18180 0.12500 1
Nb1_1 Nb 0.16160 0.32420 0.37225 1
Nb1_2 Nb 0.33840 0.17580 0.62225 1
O1_1 O 0.09520 0.39660 0.21645 1
O1_2 O 0.40480 0.10340 0.46645 1
O2_1 O 0.07530 0.11530 0.44420 1
O2_2 O 0.42470 0.38470 0.69420 1
O3_1 O 0.25230 0.12380 0.28465 1
O3_2 O 0.24770 0.37620 0.53465 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 0 0 mx,my,mz ? ? ?

