#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/01/2025

data_5yOhtAoR
_audit_creation_date            2025-01-01
_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                    "Mn2 Au1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        8
_citation_page_first            .
_citation_page_last             .
_citation_article_id            084413
_citation_year                  2024
_citation_DOI                   10.1103/PhysRevMaterials.8.084413

loop_
_citation_author_name
"Mebatsion S. Gebre"
"Rebecca K. Banner"
"Kisung Kang"
"Kejian Qu"
"Huibo Cao"
"Andre Schleife"
"Daniel P. Shoemaker"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  58548
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     295

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5- 2 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure is not reported. Here a model retrieved from the ICSD is used.
The easy axis on the xy was determined from magnetic susceptibility measurements.
;

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

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_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  'a-b,a+b,c;0,0,0'


_space_group_magn.number_BNS  69.523
_space_group_magn.name_BNS  "F m' m m"
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  "8.3.26"
_cell_length_a                 3.32800
_cell_length_b                 3.32800
_cell_length_c                 8.53900
_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,-x,-z,+1 
3 -y,-x,z,+1 
4 x,y,-z,+1 
5 y,x,-z,-1 
6 -x,-y,z,-1 
7 -x,-y,-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+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
Au1 Au 0.00000 0.00000 0.00000 1
Mn1 Mn 0.00000 0.00000 0.33300 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 3.224 3.224 0.0 mx,mx,0 4.56(2) ? ?

