#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/06/2025
# From a file submitted by V. Petricek

data_5yOhtAoR
_audit_creation_date            2025-01-06
_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                    "Zn1 Fe2 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        109
_citation_page_first            .
_citation_page_last             .
_citation_article_id            064421
_citation_year                  2024
_citation_DOI                   10.1103/PhysRevB.109.064421

loop_
_citation_author_name
"Margarita G. Dronova"
"Vaclav Petricek"
"Zachary Morgan"
"Feng Ye"
"Daniel M. Silevitch"
"Yejun Feng"

_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     6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mW2 12 4 special primary . .

_exptl_crystal_magnetic_properties_details
;
NSD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
4-dim small irrep along a special direction
The paper discusses several possible models. This is the one considered the best.
The star of the active irrep has 3 k-vectors. Possible multi-k solutions were also considered and discarded.
;

_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;3/8,3/8,3/8'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  121.332
_space_group_magn.name_BNS  "I_c -4 2 m"
_space_group_magn.point_group_name  "-42m.1'"
_space_group_magn.point_group_number  "14.2.49"
_cell_length_a                 8.5379
_cell_length_b                 8.5379
_cell_length_c                 17.0758
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,-y,z,+1 
3 y,-x,-z,+1 
4 -y,x,-z,+1 
5 -x,y,-z,+1 
6 x,-y,-z,+1 
7 -y,-x,z,+1 
8 y,x,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 
3 x+1/2,y+1/2,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 0.25 0.25 -0.125 1
Zn1_2 Zn 0 0 -0.25 1
Zn1_3 Zn -0.5 0 -0.5 1
Fe1_1 Fe -0.375 0.125 -0.1875 1
Fe1_2 Fe 0.125 0.125 -0.4375 1
O1_1 O -0.13524 0.13524 -0.18238 1
O1_2 O -0.63524 0.13524 -0.43238 1
O1_3 O 0.38524 0.11476 -0.19262 1
O1_4 O 0.11476 0.11476 -0.05738 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 2.392(7) 2.392(7) 0.53(2) mx,mx,mz 3.42 ? ?
Fe1_2 1.860(8) -1.860(8) 0.0 mx,-mx,0 2.63 ? ?

