#\#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  1.3
_experiment_temperature  0.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positions and unit cell from a 125K measurement.
;

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

_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 [1 0 0]

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



_space_group_magn.number_BNS  14.84
_space_group_magn.name_BNS  "P_C 2_1/c"
_cell_length_a             9.59220
_cell_length_b             5.62750
_cell_length_c             14.23580
_cell_angle_alpha          90.00
_cell_angle_beta           90.18
_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+1/2,y+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-y+1/2,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 0.33230 0.47500 0.08580
Ba1 Ba 0.00000 0.44950 0.25000
Mn1 Mn 0.00000 0.50000 0.00000
V1 V 0.33170 0.47760 0.36703
O1 O 0.32290 0.52240 0.25030
O2 O 0.38460 0.73930 0.41790
O3 O 0.45030 0.25650 0.39460
O4 O 0.17090 0.40060 0.41010

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 0.5(2) 1.4(1) 1.4(1) mx,my,mz

