#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        56
_citation_page_first            14842
_citation_page_last             14849
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1021/acs.inorgchem.7b02024

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




_atomic_positions_source_database_code_ICSD  254516
_atomic_positions_source_other               .

_transition_temperature  7
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure determined at 100K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep primary
;

_parent_space_group.name_H-M_alt  'C 2/c'
_parent_space_group.IT_number                       15
_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  15.89
_space_group_magn.name_BNS  "C 2'/c'"
_cell_length_a             9.55340
_cell_length_b             5.60330
_cell_length_c             14.12490
_cell_angle_alpha          90.00
_cell_angle_beta           90.33
_cell_angle_gamma          90.00

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,-z+1/2,-1
4 x,-y,z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 Na 0.33130 0.47080 0.08450
Ba1 Ba 0.00000 0.44418 0.25000
Fe1 Fe 0.00000 0.50000 0.00000
V1 V 0.33252 0.47220 0.36802
O1 O 0.32380 0.51380 0.25020
O2 O 0.38700 0.73430 0.41970
O3 O 0.45100 0.24710 0.39680
O4 O 0.17050 0.40220 0.41210

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 -1.8(3) 3.60(2) 2.5(3) mx,my,mz

