#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/30/2023
# Small format correction 02/17/2026

data_5yOhtAoR
_audit_creation_date            2023-08-30
_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        "phys. stat. sol."
_citation_journal_volume        40
_citation_page_first            171
_citation_page_last             182
_citation_article_id            .
_citation_year                  1970
_citation_DOI                   10.1002/pssb.19700400118

loop_
_citation_author_name
"B. Boucher"
"R. Buhl"
"M. Perrin"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    20
_temperature_cell_parameters            293

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Szytula et al, Acta Phys. Pol. 106, 583 (2004)"

_transition_temperature     10.6
_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 and Mossbauer
The description has been changed here to a standard setting for the parent space group
Figure in the paper had to be interpreted to construct an unambiguous model of the reported structure. Some misinterpretation of the figure may have happened. 
Three different models are reported to fit equally well the experimental data. This is the one of higher symmetry
See #1.759 for another model of this phase under the same MSG
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
4-dim extended small (k,-k) irrep
Possible multi-k structures for the same irrep were not considered
;

_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 [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;-1/8,-1/8,-1/16'

_space_group_magn.number_BNS  122.338
_space_group_magn.name_BNS  "I_c -4 2 d"
_space_group_magn.point_group_name  "-42m1'"
_space_group_magn.point_group_number  "14.2.49"
_cell_length_a                 8.44300
_cell_length_b                 8.44300
_cell_length_c                 16.88600
_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,-y+1/4,-z+1/8,+1 
3 -x+3/4,y+1/2,-z+1/8,+1 
4 -x+3/4,-y+3/4,z,+1 
5 y,-x+3/4,-z+7/8,+1 
6 -y+3/4,x,-z+7/8,+1 
7 -y+3/4,-x+1/4,z+1/4,+1 
8 y,x+1/2,z+1/4,+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 0.37500 0.37500 0.18750 1
Zn1_2 Zn 0.12500 0.62500 0.06250 1
Fe1 Fe 0.00000 0.00000 0.00000 1
O1_1 O 0.75940 0.75940 0.37970 1
O1_2 O 0.50940 0.00940 0.87030 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 -4.0 0.0 0.0 mx,my,mz 4.0 ? ?

