#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/18/2025

data_5yOhtAoR
_audit_creation_date            2025-08-18
_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                    "Mn3 Ga1 C1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Adv. Mater."
_citation_journal_volume        37
_citation_page_first            .
_citation_page_last             .
_citation_article_id            2420502
_citation_year                  2025
_citation_DOI                   10.1002/adma.202420502

loop_
_citation_author_name
"Shihai An"
"Fan Yang"
"Ying Sun"
"Sihao Deng"
"Xiuliang Yuan"
"Kewen Shi"
"Lunhua He"
"Bao Yuan"
"Liling Sun"
"Jing Guo"
"Pengyu Wang"
"Xianlei Sheng"
"Weichang Hao"
"Yi Du"
"Qingzhen Huang"
"Cong Wang"

_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     170
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR4+ 3 3 special primary 1 .
mR2+ 1 1 general secondary 1 yes

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
3-dim primary irrep along a special direction
secondary 1-dim irrep is also present with a specific relative amplitude with respect to the primary one to produce the collinear arrangement.
;

_parent_space_group.name_H-M_alt  'P m -3 m'
_parent_space_group.IT_number                       221
_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  'a-c,-a+b,2a+2b+2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  167.108
_space_group_magn.name_BNS  "R_I -3c"
_space_group_magn.point_group_name  "-3m1'"
_space_group_magn.point_group_number  "20.2.72"
_cell_length_a                 5.49700
_cell_length_b                 5.49700
_cell_length_c                 13.46500
_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,x-y,z,+1 
3 -x+y,-x,z,+1 
4 x-y,-y,-z+1/2,+1 
5 y,x,-z+1/2,+1 
6 -x,-x+y,-z+1/2,+1 
7 -x,-y,-z,+1 
8 y,-x+y,-z,+1 
9 x-y,x,-z,+1 
10 -x+y,y,z+1/2,+1 
11 -y,-x,z+1/2,+1 
12 x,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+2/3,y+1/3,z+1/3,+1 
3 x+1/3,y+2/3,z+2/3,+1 
4 x,y,z+1/2,-1 
5 x+2/3,y+1/3,z+5/6,-1 
6 x+1/3,y+2/3,z+1/6,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga1 Ga 0.00000 0.00000 0.00000 1
Mn1 Mn 0.50000 0.00000 0.00000 1
C1 C 0.00000 0.00000 0.25000 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
Mn1 0.0 0.0 -1.85(5) mx,2mx,mz 1.85(5) ? ?

