#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/03/2026

data_5yOhtAoR
_audit_creation_date            2026-04-03
_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                    "Ce2 Cu2 In1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        1011
_citation_page_first            .
_citation_page_last             .
_citation_article_id            178453
_citation_year                  2025
_citation_DOI                   10.1016/j.jallcom.2025.178453

loop_
_citation_author_name
"P. Kral"
"M. Klicpera"
"M. Divis"
"L. Havela"
"V. Pomjakushin"
"J. Kastil"
"J. Prchal"

_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     4.7
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ4+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P 4/m b m'
_parent_space_group.IT_number                       127
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 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;0,1/2,0'


_space_group_magn.number_BNS  136.504
_space_group_magn.name_BNS  "P_c 4_2/m n m"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 7.75220
_cell_length_b                 7.75220
_cell_length_c                 7.74560
_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+1/2,+1 
3 y,-x,z+1/2,+1 
4 x+1/2,-y+1/2,-z+1/2,+1 
5 -x+1/2,y+1/2,-z+1/2,+1 
6 -x,-y,z,+1 
7 y+1/2,x+1/2,-z,+1 
8 -y+1/2,-x+1/2,-z,+1 
9 -x,-y,-z,+1 
10 y,-x,-z+1/2,+1 
11 -y,x,-z+1/2,+1 
12 -x+1/2,y+1/2,z+1/2,+1 
13 x+1/2,-y+1/2,z+1/2,+1 
14 x,y,-z,+1 
15 -y+1/2,-x+1/2,z,+1 
16 y+1/2,x+1/2,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 

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 0.17750 0.67750 0.25000 1
Cu1 Cu 0.38250 0.88250 0.25000 1
In1 In 0.00000 0.00000 0.00000 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
Ce1 -1.01 1.01 0.0 mx,-mx,0 1.43(6) ? ?

