#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/02/2021

data_5yOhtAoR
_audit_creation_date            2021-10-02
_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 O"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW"
_citation_journal_volume        138
_citation_page_first            A584
_citation_page_last             A587
_citation_article_id            .
_citation_year                  1965
_citation_DOI                   10.1103/PhysRev.138.A584

loop_
_citation_author_name
"B. van Laar"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  9865
_atomic_positions_source_other               .

_transition_temperature     290
_experiment_temperature     77

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL3+ 8 2 special primary 1 .
mL2+ 4 1  .    secondary 1 yes

_exptl_crystal_magnetic_properties_details
;
NPD
Co moment magnitude is not determined. Here an arbitrary scale is used.
Position structure including cell parameters from a determination at room temperature
;

_active_magnetic_irreps_details
;
4k magnetic structure
8-dim full irrep along a special direction as primary
The irrep has 4 k-vectors. 
A 1k model that equally fits the data is also presented (see #1.618).
2k and 3k models, which possibly could also fit the data were not considered.
See #1.69 for a more recent model of this phase.
The small contribution of the secondary irrep is the result of the deviation of the Co1 moment from the direction (-1,-1,2).
;

_parent_space_group.name_H-M_alt  'F m -3 m'
_parent_space_group.IT_number                       225
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 1/2]
k2 [1/2 -1/2 -1/2]
k3 [-1/2 1/2 -1/2]
k4 [-1/2 -1/2 1/2]

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

_space_group_magn.number_BNS  142.570
_space_group_magn.name_BNS  "I_c 4_1/a c d"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 8.52600
_cell_length_b                 8.52600
_cell_length_c                 8.52600
_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 -y+1/2,x+1/4,z+1/4,+1 
3 y+1/4,-x+1/2,z+1/4,+1 
4 y+1/4,x+1/4,-z+1/2,+1 
5 -y,-x,-z+1/2,+1 
6 -x+3/4,-y+3/4,z,+1 
7 -x+1/4,y+1/2,-z+3/4,+1 
8 x,-y+3/4,-z+3/4,+1 
9 -x,-y+1/2,-z+1/2,+1 
10 y+1/2,-x+1/4,-z+1/4,+1 
11 -y+3/4,x,-z+1/4,+1 
12 -y+3/4,-x+3/4,z+1/2,+1 
13 y,x,z+1/2,+1 
14 x+3/4,y+1/4,-z+1/2,+1 
15 x+1/4,-y,z+1/4,+1 
16 -x,y+1/4,z+1/4,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/2,z+1/2,+1 
3 x+1/2,y,z+1/2,+1 
4 x+1/2,y+1/2,z,+1 
5 x,y,z+1/2,-1 
6 x,y+1/2,z,-1 
7 x+1/2,y,z,-1 
8 x+1/2,y+1/2,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 0.00000 0.00000 1
O1 O 0.25000 0.25000 0.25000 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 -0.325 -0.325 0.888 mx,mx,mz ? ? ?

