#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 20/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-20
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "AIP Conference Proceedings"
_citation_journal_volume        5
_citation_page_first            436
_citation_page_last             439
_citation_article_id            .
_citation_year                  1972
_citation_DOI                   10.1063/1.3699474

loop_
_citation_author_name
"G. R. Davidson"
"M. Eibschutz"
"D. E. Cox"
"V. J. Minkiewicz"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Seifert et al., Z. anorg. allg. Chemie. (1966) 342,1"

_temperature_position_structure         4.2
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    293

_transition_temperature  2.55
_experiment_temperature  1.86

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

_exptl_crystal_magnetic_properties_details
;
NSD
Cell parameters from a measurement at 4.2K
Positions of Cl atoms from a determination at 293K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
4-dim irrep along a special direction as primary
1-dim irrep with k=0 (third harmonic) allowed as secondary , but not involved in the model. It corresponds to the mz component, which can be non-zero within the MSG.
;

_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]

_parent_space_group.child_transform_Pp_abc  'a-b,a+2b,c;1,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;-1/3,0,1/4'



_space_group_magn.number_BNS  189.224
_space_group_magn.name_BNS  "P -6' 2 m'"
_cell_length_a             12.10700
_cell_length_b             12.10700
_cell_length_c             5.95000
_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+2/3,x-y+1/3,z,+1 
3 -x+y+1/3,-x+2/3,z,+1 
4 x-y,-y,-z+1/2,+1 
5 y+2/3,x+1/3,-z+1/2,+1 
6 -x+1/3,-x+y+2/3,-z+1/2,+1 
7 -x+y+1/3,-x+2/3,-z+1/2,-1 
8 x,y,-z+1/2,-1 
9 -y+2/3,x-y+1/3,-z+1/2,-1 
10 -x+1/3,-x+y+2/3,z,-1 
11 x-y,-y,z,-1 
12 y+2/3,x+1/3,z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 Fe 0.000000 0.000000 0.00000
Rb1_1 Rb 0.33333 0.00000 0.75000
Rb1_2 Rb 0.66666 0.00000 0.25000
Rb1_3 Rb 0.33333 0.33333 0.25000
Cl1_1 Cl 0.33333 0.82666 0.25000
Cl1_2 Cl 0.17332 0.50667 0.25000
Cl1_3 Cl 0.33334 0.50667 0.75000
Cl1_4 Cl 0.49334 0.82667 0.75000

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
Fe1 1.6(2) 0.00000 0.00000 mx,0,mz 1.6(2)

