#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/22/2025

data_5yOhtAoR
_audit_creation_date            2025-09-22
_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                    "Dy1 Ga3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        1041
_citation_page_first            .
_citation_page_last             .
_citation_article_id            183793
_citation_year                  2025
_citation_DOI                   10.1016/j.jallcom.2025.183793

loop_
_citation_author_name
"Hengheng Wu"
"Don Zhang"
"Wengen Zheng"
"Mengru Cong"
"Weijun Ren"
"Fei Gao"
"Chin-Wei Wang"
"Bing Li"
"Ping Miao"
"Zhidong Zhang"

_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     8.5
_experiment_temperature     8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM3- 3 1 . primary 5 .

_exptl_crystal_magnetic_properties_details
;
NPD
At 5.5K a transition is observed and the structure changes keeping the same MSG
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep
The active irrep has 3 k-vectors. Possible 2k or 3k models, which could fit equally well the data are no considered.
;

_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 [1/2 1/2 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a+1/2b,-1/2a+1/2b,c;0,1/4,0'


_space_group_magn.number_BNS  57.391
_space_group_magn.name_BNS  "P_C b c m"
_space_group_magn.point_group_name  "mmm.1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 12.33700
_cell_length_b                 12.33700
_cell_length_c                 23.10990
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 y+1/2,x+1/2,-z,+1 
3 -y,-x+1/2,-z+1/2,+1 
4 -x,-y+1/2,z+1/2,+1 
5 -x,-y+1/2,-z,+1 
6 -y,-x+1/2,z,+1 
7 y+1/2,x+1/2,z+1/2,+1 
8 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+1/2,y+1/2,z,+1 
3 x,y+1/2,z,-1 
4 x+1/2,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
Dy1 Dy 0.00000 0.00000 0.25000 1
Dy2 Dy 0.16667 0.33333 0.35232 1
Dy3 Dy 0.16667 0.33333 0.54228 1
Ga1_1 Ga 0.26000 0.52000 0.25000 
Ga1_2 Ga 0.26000 0.74000 0.25000
Ga2_1 Ga 0.08225 0.16450 0.65030 
Ga2_2 Ga 0.08225 0.91775 0.65030
Ga3_1 Ga 0.07100 0.14200 0.05290 
Ga3_2 Ga 0.07100 0.92900 0.05290 
 
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
Dy1 0.0 0.0 3.22 0,0,mz 3.22 ? ?
Dy2 -3.26 3.26 0.0 mx,-mx,mz 5.66 ? ?
Dy3 0.76 -0.76 0.0 mx,-mx,mz 1.33 ? ?

