#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/03/2021

data_5yOhtAoR
_audit_creation_date            2021-03-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        11
_citation_page_first            73
_citation_page_last             76
_citation_article_id            .
_citation_year                  1972
_citation_DOI                   10.1016/0038-1098(72)91133-7

loop_
_citation_author_name
"M. Steiner"

_atomic_positions_source_database_code_ICSD  15092
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .

_transition_temperature  2.67(5)
_experiment_temperature  1.74

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM3+  3  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from another study at 293K
The moment magnitude is the value extrapolated at 0K
;

_active_magnetic_irreps_details
;
1k magnetic structur
k-maximal magnetic symmetry
1-dim small irrep as primary
The irrep star has 3 k-vectors. Multi-k arrangements involving more than one k-vector of the star were not considered.
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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  'a+b,-c,b;0,0,0'

_space_group_magn.number_BNS  58.402
_space_group_magn.name_BNS  "P_B n n m"
_cell_length_a             12.47200
_cell_length_b             6.23600
_cell_length_c             5.22500
_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+1/2,2x-y,-z+1/2,+1 
3 -x+1/2,-y,z+1/2,+1 
4 -x,-2x+y,-z,+1 
5 -x,-y,-z,+1 
6 -x+1/2,-2x+y,z+1/2,+1 
7 x+1/2,y,-z+1/2,+1 
8 x,2x-y,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
Ni1 Ni 0.00000 0.00000 0.00000
Cs1 Cs 0.16667 0.66667 0.75000
F1_1 F 0.07155 0.28620 0.25000
F1_2 F  0.85690 0.85690 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Ni1 0.00000 2.25 0.00000 0,my,0  2.25

