#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/28/2025 
# Small format correction 02/17/2026

data_5yOhtAoR
_audit_creation_date            2025-07-28
_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                    "Mn1 Sb2 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        111
_citation_page_first            .
_citation_page_last             .
_citation_article_id            174453
_citation_year                  2025
_citation_DOI                   10.1103/PhysRevB.111.174453

loop_
_citation_author_name
"Arkadeb Pal"
"C. W. Wang"
"T. W. Yen"
"G. R. Blake"
"Sk. Soyeb Ali"
"S. K. Panda"
"S. Kamba"
"Y. H. Chang"
"H. S. Kunwar"
"Y. C. Lai"
"Y. C. Chuang"
"V. Sathe"
"G. Senthil Murugan"
"8 R. Sankar"
"8 S. Giri"
"H. D. Yang"

_temperature_position_structure         300
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     52
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5- 2 2 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
collinear structure
The direction of the spins on the xy plane is undetermined. A direction with maximal MSG is taken arbtrarily.
;

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

_parent_space_group.name_H-M_alt  'P 4_2/m b c'
_parent_space_group.IT_number                       135
_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,a+b,c;1/2,0,0'


_space_group_magn.number_BNS  66.493
_space_group_magn.name_BNS  "C c' c m"
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  "8.3.26"
_cell_length_a                 8.70880
_cell_length_b                 8.70880
_cell_length_c                 5.99710
_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+1/2,-x+1/2,-z+1/2,+1 
3 -y+1/2,-x+1/2,z+1/2,+1 
4 x,y,-z,+1 
5 y+1/2,x+1/2,-z+1/2,-1 
6 -x,-y,z,-1 
7 -x,-y,-z,-1 
8 y+1/2,x+1/2,z+1/2,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,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
Mn1_1 Mn 0.00000 0.50000 0.25000 1
Mn1_2 Mn 0.50000 0.00000 0.75000 1
Sb1_1 Sb 0.66736 0.67985 0.00000 1
Sb1_2 Sb 0.32015 0.66736 0.50000 1
O1_1 O 0.63280 0.90080 0.00000 1
O1_2 O 0.09920 0.63280 0.50000 1
O2_1 O 0.32210 0.82210 0.25000 1
O2_2 O 0.17790 0.32210 0.75000 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_1 3.11 -3.11 0.0 mx,-mx,0 4.4 ? ?
Mn1_2 -3.11 3.11 0.0 mx,-mx,0 4.4 ? ?

