#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/28/2023

data_5yOhtAoR
_audit_creation_date            2023-08-28
_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                    "Zn1 Fe2 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        8
_citation_page_first            759
_citation_page_last             764
_citation_article_id            .
_citation_year                  1970
_citation_DOI                   10.1016/0038-1098(70)90425-4

loop_
_citation_author_name
"U. Konig"
"E. F. Bertaut"
"Y. Gros"
"M. Mitrikov"
"G. Chol"

_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     10
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mW1 12 2 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard (origin 1) setting of the parent space group
Figure 4 in the paper had to be interpreted to construct an unambiguous model of the reported structure. Some misinterpretation of the figure may have happened. 
The orientation of the spins on the xy plane is undetermined. Here the orientation depicted in Figure 4 is assumed.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
possible multi-k solutions were not considered
The MSG assigned in the original reference is corrected here
;

_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;1/8,1/8,1/8'

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

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


_space_group_magn.number_BNS  122.338
_space_group_magn.name_BNS  "I_c -4 2 d"
_space_group_magn.point_group_name  "-4 2 m.1'"
_space_group_magn.point_group_number  "14.2.49"
_cell_length_a                 8.43000
_cell_length_b                 8.43000
_cell_length_c                 16.86000
_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,-z+3/4,+1 
3 x+1/2,-y,-z+3/4,+1 
4 -x,-y,z,+1 
5 -y,x,-z,+1 
6 y,-x,-z,+1 
7 -y+1/2,-x,z+3/4,+1 
8 y+1/2,x,z+3/4,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.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_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn1_1 Zn 0.50000 0.50000 0.25000 1
Zn1_2 Zn 0.25000 0.75000 0.12500 1
Fe1 Fe 0.12500 0.12500 0.06250 1
O1_1 O 0.88440 0.88440 0.44220 1
O1_2 O 0.63440 0.13440 0.93280 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
Fe1 1.98 0.0 1.98 mx,my,mz 3.9 ? ?

