#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        6
_citation_page_first            204
_citation_page_last             208
_citation_article_id            .
_citation_year                  1972
_citation_DOI                   10.1103/PhysRevB.6.204

loop_
_citation_author_name
"W. B. Yelon"
"D. E. Cox"

_atomic_positions_source_database_code_ICSD  60261
_atomic_positions_source_other               .

_temperature_position_structure         5.13
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .

_transition_temperature  11.15(5)
_experiment_temperature  4.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mK3  2  1  special  primary  1  .
mK5  4  2  special  primary  1  .
mGM4+ 1 1  .  secondary 1  yes
mGM6+ 2 2  special secondary 1 no
mK6  4 2   special secondary 1  no

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from another study at 5.13K
The plane of the spin rotation includes the c axis but its relative orientation with respect to the propagation vector is undetermined. Its orientation has been assumed to be one that maximizes the symmetry of the system (it is parallel to the propagation vector).
Polar along c. 
Weak FM to be expected along the (-1,1,0) direction in this model, and along symmetry equivalent directions in the twin-domain related configurations.
;

_active_magnetic_irreps_details
;
1k magnetic structure
two irreps as primary, i.e. two order parameters in the sense of Landau theory
Many secondary irreps allowed. A component according to one of them (mGM4+, k=0) has a small non-zero value. It would be zero if the angle of the N1_2 moment with respect to the z-direction were 60 degrees (mx=my=Sqr(3)*mz) instead of the reported 57.5 degrees, while keeping the same moment magnitude as Ni1_1.
;

_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 [1/3 1/3 0]
k2 [0 0 0]

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



_space_group_magn.number_BNS  36.174
_space_group_magn.name_BNS  "C m' c 2_1'"
_cell_length_a             20.76000
_cell_length_b             20.76000
_cell_length_c             5.87000
_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 y,x,z+1/2,+1 
3 -x,-y,z+1/2,-1 
4 -y,-x,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 x+2/3,y+1/3,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Rb1_1 Rb 0.11111 0.22222 0.75000
Rb1_2 Rb  0.11111 0.88889 0.75000
Ni1_1 Ni 0.00000 0.00000 0.00000
Ni1_2 Ni  0.00000 0.33333 0.00000
Cl1_1 Cl 0.05333 0.10666 0.25000
Cl1_2 Cl  0.05333 0.94667 0.25000
Cl1_3 Cl  0.05333 0.44000 0.25000
Cl1_4 Cl  0.89333 0.28000 0.25000
Cl1_5 Cl  0.05333 0.28000 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_1 0.00000 0.00000 1.25(2) mx,-mx,mz   1.25(2)
Ni1_2 1.054 1.054 -0.672 mx,my,mz      1.25

