#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 13/04/2020


data_5yOhtAoR
_audit_creation_date            2020-04-13
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "JOURNAL OF SOLID STATE CHEMISTRY"
_citation_journal_volume        131
_citation_page_first            198
_citation_page_last             214
_citation_article_id            ?
_citation_year                  1997
_citation_DOI                   10.1006/jssc.1997.7352

loop_
_citation_author_name
"J. Fompeyrine"
"J. Darriet"
"J.-J. Maguer"
"J. Greneche"
"G. Courbion"
"T. Roisnel"
"J. Rodriguez-Carvajal"



_atomic_positions_source_database_code_ICSD  84782
_atomic_positions_source_other               .

_transition_temperature  92
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+ 1  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 130K, except for the unit cell parameters
Moment components have been estimated from the indications given in the text.
A fully collinear model equally fits the data.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep primary
;

_parent_space_group.name_H-M_alt  'P 2_1/m'
_parent_space_group.IT_number                       11
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

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



_space_group_magn.number_BNS  14.82
_space_group_magn.name_BNS  "P_c 2_1/c"
_cell_length_a             15.178
_cell_length_b             5.759
_cell_length_c             8.776
_cell_angle_alpha          90.00
_cell_angle_beta           106.71
_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
3 -x,-y,-z,+1
4 x+1/2,-y+1/2,z,+1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 Ba 0.15555 0.25000 0.58190
Ba2 Ba 0.15365 0.25000 0.06870
Ni1 Ni 0.41225 0.25000 0.71820
Ni2 Ni 0.40760 0.25000 0.17950
Cl1 Cl 0.44160 0.25000 0.47100
F1 F 0.31615 0.00380 0.15550
F2 F 0.00115 0.99650 0.82690
F3 F 0.31700 0.00660 0.65610
F4 F 0.37800 0.25000 0.93630

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 1.57 0.0 1.00 mx,0,mz
Ni2 -1.57 0.00000 -0.10 mx,0,mz

