#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        98
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            134438
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.98.134438

loop_
_citation_author_name
"N. Narayanan"
"A. Senyshyn"
"D. Mikhailova"
"T. Faske"
"T. Lu"
"Z. Liu"
"B. Weise"
"H. Ehrenberg"
"R.A. Mole"
"W.D. Hutchison"
"H. Fuess"
"G.J. McIntyre"
"Y. Liu"
"D. Yu"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  106.4
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1-  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 300K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
Linear ME in accordance with its MSG
;

_parent_space_group.name_H-M_alt  'P -3 c 1'
_parent_space_group.IT_number                       165
_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,c;0,0,0'



_space_group_magn.number_BNS  165.94
_space_group_magn.name_BNS  "P -3' c' 1"
_cell_length_a             5.32910
_cell_length_b             5.32910
_cell_length_c             14.34010
_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-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
Mn1 Mn 0.33333 0.66667 0.01890
Mn2 Mn 0.33333 0.66667 0.30400
Ta1 Ta 0.00000 0.00000 0.35660
O1 O 0.27660 0.00000 0.25000
O2 O 0.33470 0.30650 0.08600

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 0.00000 0.00000 4.7(1) 0,0,mz 4.7(1)
Mn2 0.00000 0.00000 4.8(1) 0,0,mz 4.8(1)


