#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/15/2023

data_5yOhtAoR
_audit_creation_date            2023-02-15
_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                    "Y1 Mn2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Physica B"
_citation_journal_volume        120
_citation_page_first            212
_citation_page_last             215
_citation_article_id            .
_citation_year                  1983
_citation_DOI                   10.1016/0378-4363(83)90376-5

loop_
_citation_author_name
"Y. Nakamura"
"M. Shiga"
"S. Kawano"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  643915
_atomic_positions_source_other               .

_transition_temperature     100
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX1 6 2 special primary 1 .
mX2 6 2 special primary 2 .
mX3 6 2 general primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting Fd-3m (origin choice 1)
Cell parameters from a determination at room temperature by another work
;

_active_magnetic_irreps_details
;
1k magnetic structure
Three different irreps are necessarily involved as primary irreps in order to produce the collinear arrangement proposed in this model
All three irreps have the same propagation vector, and the irrep star has three k-vectors. Possible multi-k orderings, which could equally fit the data, were not considered.
Ballou et al. (Journal of Magnetism and Magnetic Materials 70 (1987) 129) have claimed subsequently that the phase is incommensurate
;

_parent_space_group.name_H-M_alt  'F d -3 m'
_parent_space_group.IT_number                       227
_parent_space_group.transform_Pp_abc  'a,b,c;1/8,1/8,1/8'

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

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a+b+1/2c,-1/2a+1/2c,1/2a+1/2c;0,-1/8,0'


_space_group_magn.number_BNS  4.12
_space_group_magn.name_BNS  "P_C 2_1"
_space_group_magn.point_group_name  "21'"
_space_group_magn.point_group_number  "3.2.7"
_cell_length_a                 7.69200
_cell_length_b                 7.69200
_cell_length_c                 7.69200
_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 -z+3/4,-y+3/4,-x+1/4,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y,z+1/2,+1 
3 x,y+1/2,z+1/2,-1 
4 x+1/2,y+1/2,z,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1_1 Mn 0.62500 0.62500 0.62500
Mn1_2 Mn  0.37500 0.87500 0.12500
Mn1_3 Mn  0.87500 0.12500 0.37500
Y1 Y 0.25000 0.25000 0.25000

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 1.56 1.56 1.56 mx,mx,mz 2.7 ? ?
Mn1_2 -1.56 -1.56 -1.56 mx,mx,mz 2.7 ? ?
Mn1_3 1.56 1.56 1.56 mx,my,mz 2.7 ? ?

