#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/22/2024 
# From a file submitted by V. Pomjakushin

data_5yOhtAoR
_audit_creation_date            2024-10-22
_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                    "Ce1 Au0.5 Cu0.5 Ge1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Magn. Magn. Mater."
_citation_journal_volume        551
_citation_page_first            .
_citation_page_last             .
_citation_article_id            169147
_citation_year                  2022
_citation_DOI                   10.1016/j.jmmm.2022.169147

loop_
_citation_author_name
"S. Shin"
"V. Pomjakushin"
"M. Bartkowiak"
"M. Medarde"
"T. Shang"
"D.J. Gawryluk"
"E. Pomjakushina"

_temperature_position_structure         15
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD   106377
_atomic_positions_source_other               .

_transition_temperature     15.1
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM6+ 2 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 15K
The difference pattern was obtained by subtracting 15 K pattern from 1.5 K pattern.
Ferromagnet
FM along a in the standard setting of the MSG (i.e. along (0,1,0) or symmetry equivalent directions in the hexagonal parent setting, which is the (0,0,1) direction in the setting used in the paper)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry
2-dim irrep along a special direction
The monoclinic MSG assigned in the paper to the model is incorrect. Here the correct orthorhombic MSG is assigned, while the setting/unit cell used in the paper is maintained.
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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,c,-b;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,2a+c,b;0,0,0'


_space_group_magn.number_BNS  63.463
_space_group_magn.name_BNS  "C  m c' m' "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 4.3936
_cell_length_b                 7.8815
_cell_length_c                 4.3936
_cell_angle_alpha              90.0000
_cell_angle_beta               120.000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,-y,-x+z,+1 
3 -x,-y,-z,+1 
4 x,y,x-z,+1 
5 x,-y+1/2,x-z,-1 
6 -x,y+1/2,-z,-1 
7 -x,y+1/2,-x+z,-1 
8 x,-y+1/2,z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.66667 0.25000 0.33333 0.50000
Cu1 Cu 0.66667 0.25000 0.33333 0.50000
Ge1 Ge 0.33333 0.25000 0.66667 1.00000

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
Ce1 0.0 0.0 1.16(1) 0,0,mz 1.16(1) ? ?

