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


data_5yOhtAoR
_audit_creation_date            2018-10-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        65
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            144443
_citation_year                  2002
_citation_DOI                   10.1103/PhysRevB.65.144443

loop_
_citation_author_name
"N. Rogado"
"Q. Huang"
"J.W. Lynn"
"A.P. Ramirez"
"D. Huse"
"R.J. Cava"




_atomic_positions_source_database_code_ICSD  96087
_atomic_positions_source_other               .

_transition_temperature  50
_experiment_temperature  8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT2+T3+ 2  2  general  primary  2  .
mT1+    1  1  .        secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
Not clear if the direction of the spins in the basal plane has been determined or has been chosen arbitrarily.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep (physically irreducible) active
The symmetry-allowed mz spin component corresponds to a secondary irrep.
;

_parent_space_group.name_H-M_alt  'R -3'
_parent_space_group.IT_number                       148
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 3/2]

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



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             5.02050
_cell_length_b             5.02050
_cell_length_c             44.47620
_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 -x,-y,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+1/3,+1
3 x+2/3,y+1/3,z+2/3,+1
4 x+2/3,y+1/3,z+1/6,-1
5 x,y,z+1/2,-1
6 x+1/3,y+2/3,z+5/6,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 Ba 0.00000 0.00000 0.00000
Ni1 Ni 0.00000 0.00000 0.08482
V1 V 0.00000 0.00000 0.21229
O1 O 0.00000 0.00000 0.17458
O2_1 O 0.65980 0.00600 0.10984
O2_2 O  0.99400 0.65380 0.10984
O2_3 O  0.34620 0.34020 0.10984

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Ni1 1.55(4) 0.00000 0.00000 mx,my,mz

