#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/10/2019


data_5yOhtAoR
_audit_creation_date            2019-10-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        58
_citation_page_first            2813
_citation_page_last             2821
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1021/acs.inorgchem.8b03418

loop_
_citation_author_name
"L.D. Sanjeewa"
"V.O. Garlea"
"M.A. McGuire"
"C.D. McMillen"
"J.W. Kolis"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  4
_experiment_temperature  0.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a 298K measurement. Unit cell from a 150K measurement.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (1 possible)
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P -3 m 1'
_parent_space_group.IT_number                       164
_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  164.89
_space_group_magn.name_BNS  "P -3 m' 1"
_cell_length_a             5.53600
_cell_length_b             5.53600
_cell_length_c             7.06110
_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,-z,+1
5 y,-x+y,-z,+1
6 x-y,x,-z,+1
7 x-y,-y,-z,-1
8 y,x,-z,-1
9 -x,-x+y,-z,-1
10 -x+y,y,z,-1
11 -y,-x,z,-1
12 x,x-y,z,-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
Na1 Na 0.33333 0.66667 0.33390
Ba1 Ba 0.00000 0.00000 0.00000
Mn1 Mn 0.00000 0.00000 0.50000
V1 V 0.33333 0.66667 0.76710
O1 O 0.33333 0.66667 0.00210
O2 O 0.34100 0.17060 0.31500

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 0.00000 0.00000 2.2(1) 0,0,mz

