#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-05
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        102
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            094413
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.102.094413

loop_
_citation_author_name
"L. Li"
"N. Narayanan"
"S. Jin"
"J. Yu"
"Z. Liu"
"H. Sun"
"C.-W. Wang"
"V. K. Peterson"
"Y. Liu"
"S. Danilkin"
"D.-X. Yao"
"D. Yu"
"M. Wang"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_temperature_position_structure         70
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  20
_experiment_temperature  3.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mF2+  3  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 70K
Mn moment angle with the basal plane: 41 degrees
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep as primary
The irrep star has 3 k-vectors. Possible alternative multi-k structures involving more than one k-vector ot the star are not mentioned, and probably can fit equally well the data.
;

_parent_space_group.name_H-M_alt  'R -3 m'
_parent_space_group.IT_number                       166
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 0]

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

_space_group_magn.number_BNS  14.83
_space_group_magn.name_BNS  "P_A 2_1/c"
_cell_length_a             11.50680
_cell_length_b             11.50680
_cell_length_c             14.10520
_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+1/3,x+1/6,-z+1/3,+1 
3 -x,-y,-z,+1 
4 -y+1/3,-x+1/6,z+1/3,+1 

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 Mn 0.00000 0.00000 0.00000
Ba1 Ba 0.00000 0.00000 0.26400
Te1 Te 0.00000 0.00000 0.50000
O1_1 O 0.07877 0.92123 0.57607
O1_2 O  0.07877 0.15753 0.57607

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
Mn1 1.96 -1.96 -2.95 mx,-mx,mz  4.49(5)

