#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/07/2022
# Comments modified on 05/08/2023

data_5yOhtAoR
_audit_creation_date            2022-01-07
_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                    "Mn Te"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "Journal de Physique"
_citation_journal_volume        25
_citation_page_first            568
_citation_page_last             574
_citation_article_id            .
_citation_year                  1964
_citation_DOI                   10.1051/jphys:01964002505056800 

loop_
_citation_author_name
"N. Kunitomi"
"Y. Hamaguchi"
"S. Anzai"


_temperature_position_structure         298
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  43541
_atomic_positions_source_other               .

_transition_temperature     323
_experiment_temperature     163

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5+ 2 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Direction of the moments on the ab plane is undetermined. Here, a direction keeping maximal symmetry is chosen arbitrarily. An alternative possible direction of maximal symmetry is (1.-1,0), with MSG Cm'c'm (a+b,-a+b,c), which would imply some weak FM along c.  This second possible direction of maximal symmetry is the one that has been reported on epitaxial thin films (Kriegner at al, Phys. Rev. B 96, 214418 (2017)). 
;  

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction
;

_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 [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;0,0,0'

_space_group_magn.number_BNS  63.457
_space_group_magn.name_BNS  "C m c m"
_space_group_magn.point_group_name  "mmm"
_space_group_magn.point_group_number  "8.1.24"
_cell_length_a                 4.14750
_cell_length_b                 4.14750
_cell_length_c                 6.71000
_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,-z,+1 
3 -y,-x,-z+1/2,+1 
4 -x,-y,z+1/2,+1 
5 -x,-y,-z,+1 
6 -y,-x,z,+1 
7 y,x,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 

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
Te1 Te 0.33333 0.66667 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 4.6(2) 4.6(2) 0.0 mx,mx,0 4.6(2) ? ?

