#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/17/2022

data_5yOhtAoR
_audit_creation_date            2022-03-17
_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                    "Na2 Mn Te O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        105
_citation_page_first            .
_citation_page_last             .
_citation_article_id            064416
_citation_year                  2022
_citation_DOI                   10.1103/PhysRevB.105.064416

loop_
_citation_author_name
"A. I. Kurbakov"
"A. E. Susloparova"
"V. Y. Pomjakushin"
"Y. Skourski"
"E. L. Vavilova"
"T. M. Vasilchikova"
"G. V. Raganyan"
"A. N. Vasiliev"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     5.5
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mP1 2 1 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure including cell parameters from a determination at room temperature
Moment magnitude obtained from the refinement could not be found in the paper. The value introduced here (1.8 muB) is a private communication from one of the authors (V. Pomjakushin).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim (k,-k) irrep along a special direction (special value of the phase of the modulation)
;

_parent_space_group.name_H-M_alt  'P -3 1 c'
_parent_space_group.IT_number                       163
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/3 1/3 1/3]

_parent_space_group.child_transform_Pp_abc  '3a,3b,3c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '2/3a+1/3b,-1/3a+1/3b,c;0,0,5/6'

_space_group_magn.number_BNS  167.106
_space_group_magn.name_BNS  "R -3' c'"
_space_group_magn.point_group_name  "-3'm'"
_space_group_magn.point_group_number  "20.4.74"
_cell_length_a                 15.34730
_cell_length_b                 15.34730
_cell_length_c                 31.71030
_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,x-y,-z+1/6,+1 
5 -x+y,y,-z+1/6,+1 
6 -y,-x,-z+1/6,+1 
7 -x,-y,-z+2/3,-1 
8 y,-x+y,-z+2/3,-1 
9 x-y,x,-z+2/3,-1 
10 -x,-x+y,z+1/2,-1 
11 x-y,-y,z+1/2,-1 
12 y,x,z+1/2,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/3,z+2/3,+1 
3 x,y+2/3,z+1/3,+1 
4 x+1/3,y,z+2/3,+1 
5 x+1/3,y+1/3,z+1/3,+1 
6 x+1/3,y+2/3,z,+1 
7 x+2/3,y,z+1/3,+1 
8 x+2/3,y+1/3,z,+1 
9 x+2/3,y+2/3,z+2/3,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 Na 0.11111 0.22222 0.01267 1.
Mn1 Mn 0.22222 0.11111 0.08333 0.924
Te1 Te 0.11111 0.22222 0.25333 0.76
Mn2_1 Mn 0.00000 0.00000 0.08333 0.048
Mn2_2 Mn 0.00000 0.00000 0.25000 0.048
Te2_1 Te 0.00000 0.00000 0.08333 0.924
Te2_2 Te 0.00000 0.00000 0.25000 0.924
O1_1 O 0.01740 0.23833 0.21600 0.988
O1_2 O 0.98260 0.76167 0.78400 0.988
O1_3 O 0.01740 0.23833 0.54933 0.988

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 2.08 1.04 0.0 2my,my,0 1.8 ? ?

