#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/23/2024
# From a file submitted by V. Pomjakushin

data_5yOhtAoR
_audit_creation_date            2024-10-23
_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                    "Li2 Mn1 Te1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys Rev B"
_citation_journal_volume        102
_citation_page_first            .
_citation_page_last             .
_citation_article_id            094433
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.102.094433

loop_
_citation_author_name
"E.A. Zvereva"
"G.V. Raganyan"
"T.M. Vasilchikova"
"V.B. Nalbandyan"
"D.A. Gafurov"
"E.L. Vavilova"
"K.V. Zakharov"
"H.-J. Koo"
"V.Yu. Pomjakushin"
"A.E. Susloparova"
"A.I. Kurbakov"
"A.N. Vasiliev"
"M.-H. Whangbo"

_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     8.5
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mK1 2 1 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
The magnetic moment size 1.16 muB, given in the paper is not correct. The correct value is 1.37(5) muB.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2d-full irrep, with k and -k, along a special direction (special modulation phase)
;

_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 0]

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


_space_group_magn.number_BNS  165.91
_space_group_magn.name_BNS  "P -3 c 1"
_space_group_magn.point_group_name  "-3m"
_space_group_magn.point_group_number  "20.1.71"
_cell_length_a                 8.67671
_cell_length_b                 8.67671
_cell_length_c                 9.48700
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              120.00000

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-y,-y,-z+1/2,+1 
5 y,x,-z+1/2,+1 
6 -x,-x+y,-z+1/2,+1 
7 -x,-y,-z,+1 
8 y,-x+y,-z,+1 
9 x-y,x,-z,+1 
10 -x+y,y,z+1/2,+1 
11 -y,-x,z+1/2,+1 
12 x,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 0.33333 0.00000 0.25000 1
Te1_1 Te 0.00000 0.00000 0.25000 1
Te1_2 Te 0.33333 0.66667 0.25000 1
O1_1 O -0.08800 0.78580 0.63779 1
O1_2 O 0.24533 0.45247 0.63779 1
O1_3 O 0.57867 0.11913 0.63779 1
Li1 Li 0.33333 0.33333 0.04840 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 1.37(5) 0.0 0.0 mx,0,0 1.37(5) ? ?

