#\#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        "AIP Conference Proceedings 10, 684 (1973)"
_citation_journal_volume        10
_citation_page_first            684
_citation_page_last             ?
_citation_article_id            .
_citation_year                  1973
_citation_DOI                   10.1063/1.2946992

loop_
_citation_author_name
"M. Eibschutz"
"R. C. Sherwood"
"F. S. L. Hsu"
"C. E. Cox"

_atomic_positions_source_database_code_ICSD  2782
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .

_transition_temperature  8.3
_experiment_temperature  4.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mK5  4  2  special  primary  1  .
mGM2+ 1  1  .  secondary  1  no


_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from another study at 293K
Probably the absolute orientation of the spin arrangement on the basal plane is undetermined. The orientation chosen is one of the non-equivalent possible ones that maximize the symmetry of the system.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
4-dim irrep along a special direction as primary
A secondary irrep spin ordering is allowed corresponding to the possible non-zero mz moment Mn component. It is a k=0 FM mode along c.
Consequently weak FM along c is to be expected, if this is the absolute orientation on the basal plane of the spins (For their other possible (perpendicular) orientation of maximal symmetry (MSG: P-6m2 N. 189.221) , no secondary irrep is allowed, mz=0, and weak FM is not possible).
;

_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;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;-1/3,0,1/4'



_space_group_magn.number_BNS  189.225
_space_group_magn.name_BNS  "P -6 2' m'"
_cell_length_a             13.17920
_cell_length_b             13.17920
_cell_length_c             6.52000
_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+1/3,-x+2/3,-z+1/2,+1 
5 x,y,-z+1/2,+1 
6 -y+2/3,x-y+1/3,-z+1/2,+1 
7 x-y,-y,-z+1/2,-1 
8 y+2/3,x+1/3,-z+1/2,-1 
9 -x+1/3,-x+y+2/3,-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
Mn1 Mn 0.00000 0.00000 0.00000
Cs1_1 Cs 0.33333 0.00000 0.75000
Cs1_2 Cs 0.66666 0.00000 0.25000
Cs1_3 Cs 0.33333 0.33333 0.25000
Br1_1 Br 0.33333 0.82837 0.25000
Br1_2 Br 0.17163 0.50497 0.25000
Br1_3 Br 0.33333 0.50497 0.75000
Br1_4 Br 0.49503 0.82837 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
Mn1 3.0(3) 0.00000 0.0 mx,0,mz  3.0(3)

