#\#CIF_2.0 
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/23/2021 

data_5yOhtAoR
_audit_creation_date            2021-09-23
_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                    "Ce Ir (In0.97Cd0.03)5"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        101
_citation_page_first            .
_citation_page_last             .
_citation_article_id            195146
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.101.195146

loop_
_citation_author_name
"K. Beauvois"
"N. Qureshi"
"R. Tsunoda"
"Y. Hirose"
"R. Settai"
"D. Aoki"
"P. Rodiere"
"A. McCollam"
"I. Sheikin"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            10

_atomic_positions_source_database_code_ICSD  150225
_atomic_positions_source_other               .

_transition_temperature     3
_experiment_temperature     1.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA3+ 1  1  . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure except cell parameters is not provided. Here the position of one of the In/Cd sites has been taken from the a different study at room temperature of the pure compound CeIrIn5.
The cell parameters are from a determination at 10K. 
;

_active_magnetic_irreps_details
;
1k magnetic structure
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 4/m m m'
_parent_space_group.IT_number                       123
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a-1/2b,1/2a+1/2b,c;0,0,0'

_space_group_magn.number_BNS  140.550
_space_group_magn.name_BNS  "I_c 4/m c m"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 9.29820
_cell_length_b                 9.29820
_cell_length_c                 14.98520
_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 -y,-x,-z+1/2,+1 
5 y,x,-z+1/2,+1 
6 -x,-y,z,+1 
7 x,-y,-z+1/2,+1 
8 -x,y,-z+1/2,+1 
9 -x,-y,-z,+1 
10 y,-x,-z,+1 
11 -y,x,-z,+1 
12 y,x,z+1/2,+1 
13 -y,-x,z+1/2,+1 
14 x,y,-z,+1 
15 -x,y,z+1/2,+1 
16 x,-y,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/2,z+1/2,+1 
3 x+1/2,y,z+1/2,+1 
4 x+1/2,y+1/2,z,+1 
5 x,y,z+1/2,-1 
6 x,y+1/2,z,-1 
7 x+1/2,y,z,-1 
8 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
Ce1 Ce 0.00000 0.00000 0.00000 1.
Ir1 Ir 0.00000 0.00000 0.25000 1.
In1 In 0.25000 0.25000 0.00000 0.97
Cd1 Cd 0.25000 0.25000 0.00000 0.03
In2 In 0.00000 0.25000 0.15262 0.97
Cd2 Cd 0.00000 0.25000 0.15262 0.03

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 0.47(3) 0,0,mz 0.47(3) ?  ?

