#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/15/2022

data_5yOhtAoR
_audit_creation_date            2022-10-15
_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                    "Mn1.2 Co1.8 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Physique"
_citation_journal_volume        31
_citation_page_first            113
_citation_page_last             119
_citation_article_id            .
_citation_year                  1970
_citation_DOI                   10.1051/jphys:01970003101011300

loop_
_citation_author_name
"S. B. Boucher"
"R. Buhl"
"R. di Bella"
"M. Perrin"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_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
mGM4+ 3 3 special primary 5 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
Ferrimagnetic
Transition temperature is not given
The direction of the moments is not specified. Here it is assumed to be along one of the tetragonal axes to maximize the symmetry.
The moment value at the shared site Mn1/Co1 is an average value for the site as a whole. Here, because of the format used, the moment value is assigned to each atomic species separately.
;

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

_parent_space_group.name_H-M_alt  'F d -3 m'
_parent_space_group.IT_number                       227
_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  '1/2b+1/2c,-1/2b+1/2c,a;1/4,1/4,0'

_space_group_magn.number_BNS  141.557
_space_group_magn.name_BNS  "I 4_1/a m' d'"
_space_group_magn.point_group_name  "4/mm'm'"
_space_group_magn.point_group_number  "15.6.58"
_cell_length_a                 8.3189
_cell_length_b                 8.3189
_cell_length_c                 8.3189
_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+3/4,z+3/4,-y,+1 
3 x+3/4,-z,y+3/4,+1 
4 x,-y+3/4,-z+3/4,+1 
5 -x+1/2,-y+1/2,-z,+1 
6 -x+3/4,-z+3/4,y,+1 
7 -x+3/4,z+1/2,-y+1/4,+1 
8 -x+1/2,y+1/4,z+3/4,+1 
9 -x+1/2,z+1/4,y+3/4,-1 
10 -x+1/2,-z+1/2,-y,-1 
11 -x+3/4,y+1/2,-z+1/4,-1 
12 -x+3/4,-y+3/4,z,-1 
13 x,-z+1/4,-y+1/4,-1 
14 x,z+1/2,y+1/2,-1 
15 x+3/4,-y,z+3/4,-1 
16 x+3/4,y+3/4,-z,-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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.00000 0.00000 0.00000 0.6
Co1 Co 0.00000 0.00000 0.00000 0.4
Co2 Co 0.37500 0.37500 0.37500 1.
O1 O 0.239 0.239 0.239 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
Mn1 4.44 0.0 0.0 mx,mz,mz 4.44 ? ?
Co1 4.44 0.0 0.0 mx,mz,mz 4.44 ? ?
Co2 -3.09 0.0 0.0 mx,0,0 3.09 ? ?

