#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/15/2025

data_5yOhtAoR
_audit_creation_date            2025-08-15
_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 Al1 Se1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        103
_citation_page_first            .
_citation_page_last             .
_citation_article_id            115143
_citation_year                  2025
_citation_DOI                   10.1103/PhysRevB.103.115143

loop_
_citation_author_name
"Hung-Yu Yang"
"Bahadur Singh"
"Jonathan Gaudet"
"Baozhu Lu"
"Cheng-Yi Huang"
"Wei-Chi Chiu"
"Shin-Ming Huang"
"Baokai Wang"
"Faranak Bahrami"
"Bochao Xu"
"Jacob Franklin"
"Ilya Sochnikov"
"David E. Graf"
"Guangyong Xu"
"Yang Zhao"
"Christina M. Hoffman"
"Hsin Lin"
"Darius H. Torchinsky"
"Collin L. Broholm"
"Arun Bansil"
"Fazel Tafti"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  45539
_atomic_positions_source_other               .

_transition_temperature     8.2
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5 2 2 general primary 4 .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure is not provided. Here a room temperature model retrieved from the ICSD is used.
Experiment temperature for the reported moments is not clearly indicated. The value given here is inferred.
FM on the xy plane
Only the relative orientation of the two independent moments is reported (68 degrees). 
The absolute orientation of the spins in the basal plane is undetermined. Here an arbitrary absolute orientation is chosen.
Apparently, possible spin arrangements of higher symmetry for the same active irrep were not checked or explored as possible solutions.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a general direction. Possible special directions were apparently not checked.
;

_parent_space_group.name_H-M_alt  'I 4_1 m d'
_parent_space_group.IT_number                       109
_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,c,a;0,0,0'


_space_group_magn.number_BNS  5.15
_space_group_magn.name_BNS  "C 2'"
_space_group_magn.point_group_name  "2'"
_space_group_magn.point_group_number  "3.3.8"
_cell_length_a                 4.25020
_cell_length_b                 4.25020
_cell_length_c                 14.57690
_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 -x,-y,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
Ce1_1 Ce 0.00000 0.00000 0.00000 1
Ce1_2 Ce 0.00000 0.50000 0.25000 1
Al1_1 Al 0.00000 0.00000 0.57978 1
Al1_2 Al 0.00000 0.50000 0.82978 1
Si1_1 Si 0.00000 0.00000 0.41076 1
Si1_2 Si 0.00000 0.50000 0.66076 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 0.0 1.1 0.0 mx,my,0 1.1 ? ?
Ce1_2 1.02 0.41 0.0 mx,my,0 1.1 ? ?

