#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/05/2020


data_5yOhtAoR
_audit_creation_date            2020-05-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        95
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            174440
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.95.174440

loop_
_citation_author_name
"A.F. May"
"Y. Liu"
"S. Calder"
"D.S. Parker"
"T. Pandey"
"E. Cakmak"
"H. Cao"
"J. Yan"
"M.A. McGuire"



_atomic_positions_source_database_code_ICSD  41021
_atomic_positions_source_other               .

_transition_temperature  78
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+  2  2  special  primary  3  .
mGM2+  1  1    .      secondary 2  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at room temperature retrieved from the ICSD
Direction of the spins on the basal plane is unknown. It is chosen here along a direction that maximizes the magnetic symmetry.
FM on the plane ac (symmetry related planes for the two other equivalent domains, all including the c direction)
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary
The z spin components allowing a canting out of the basal plane correspond to a secondary irrep.
Recently a significant moment component  along z of the two Mn sites has been reported for the similar structure of Mn3Si2Se6, and a similar feature has been suggested for Mn3Si2Te6 (see May et al., J. of Magn. and Magn. Mat. 511 (2020) 166936)
;

_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 [0 0 0]

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



_space_group_magn.number_BNS  15.89
_space_group_magn.name_BNS  "C 2'/c'"
_cell_length_a             7.02900
_cell_length_b             7.02900
_cell_length_c             14.25500
_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 -x,-y,-z,+1
3 -x+y,y,-z+1/2,-1
4 x-y,-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 0.66667 0.00068 1.
Mn2 Mn 0.33333 0.66667 0.25000 0.966
Si1 Si 0.00000 0.00000 0.08153 1.
Te1_1 Te 0.65869 0.00361 0.12788 1.
Te1_2 Te  0.99639 0.65508 0.12788 1.
Te1_3 Te  0.34492 0.34131 0.12788 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
Mn1 4.2(1) 0.00000 0.00000 mx,my,mz
Mn2 -4.2 0.00000 0.00000 mx,0,mz


