#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/07/2026

data_5yOhtAoR
_audit_creation_date            2026-04-07
_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 H0.41"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        107
_citation_page_first            787
_citation_page_last             790
_citation_article_id            .
_citation_year                  1998
_citation_DOI                   10.1016/S0038-1098(98)00229-4

loop_
_citation_author_name
"V.K. Fedotov"
"V.E. Antonov"
"A.I. Kolesnikov"
"A.I. Beskrovny"
"G. Grosse"
"F.E. Wagner"

_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     ?
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX3+ 3 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep
The symbol assigned to the MSG of the structure in the original reference is incorrect
;

_parent_space_group.name_H-M_alt  'F m -3 m'
_parent_space_group.IT_number                       225
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1]

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


_space_group_magn.number_BNS  128.410
_space_group_magn.name_BNS  "P_I 4/m n c"
_space_group_magn.point_group_name  "4/mmm.1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 2.67000
_cell_length_b                 2.67000
_cell_length_c                 3.77600
_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 x+1/2,-y+1/2,-z+1/2,+1 
5 -x+1/2,y+1/2,-z+1/2,+1 
6 -x,-y,z,+1 
7 y+1/2,x+1/2,-z+1/2,+1 
8 -y+1/2,-x+1/2,-z+1/2,+1 
9 -x,-y,-z,+1 
10 y,-x,-z,+1 
11 -y,x,-z,+1 
12 -x+1/2,y+1/2,z+1/2,+1 
13 x+1/2,-y+1/2,z+1/2,+1 
14 x,y,-z,+1 
15 -y+1/2,-x+1/2,z+1/2,+1 
16 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 
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
Mn1 Mn 0.00000 0.00000 0.00000 1
H1 H 0.00000 0.00000 0.50000 0.41

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 1.88(15) 0,0,mz 1.88(15) ? ?

