#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "JOURNAL DE PHYSIQUE Colloque C"
_citation_journal_volume        32
_citation_page_first            C1-892
_citation_page_last             C1-894
_citation_article_id            ?
_citation_year                  1971
_citation_DOI                   10.1051/jphyscol:19711316

loop_
_citation_author_name
"V.J. MINKIEWICZ"
"COX D. E."
"G. SHIRANE"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  36
_experiment_temperature  4.45

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mK3  2  1  special  primary  1  .
mGM4+ 1  1   .      secondary 1  no

_exptl_crystal_magnetic_properties_details
;
NPD
Structure described in the standard setting of its MSG
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
2-dim irrep as primary
A secondary irrep mode is symmetry allowed, but not present. It makes possible different mz values for the two Co split sites.
;

_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;0,0,0'



_space_group_magn.number_BNS  193.259
_space_group_magn.name_BNS  "P 6_3'/m' c  m'"
_cell_length_a             12.62670
_cell_length_b             12.62670
_cell_length_c             6.19000
_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-y,z,+1
3 -x+y,-x,z,+1
4 x-y,-y,-z+1/2,+1
5 y,x,-z+1/2,+1
6 -x,-x+y,-z+1/2,+1
7 -x,-y,-z,+1
8 y,-x+y,-z,+1
9 x-y,x,-z,+1
10 -x+y,y,z+1/2,+1
11 -y,-x,z+1/2,+1
12 x,x-y,z+1/2,+1
13 x-y,x,z+1/2,-1
14 -x,-y,z+1/2,-1
15 y,-x+y,z+1/2,-1
16 x,x-y,-z,-1
17 -x+y,y,-z,-1
18 -y,-x,-z,-1
19 -x+y,-x,-z+1/2,-1
20 x,y,-z+1/2,-1
21 -y,x-y,-z+1/2,-1
22 -x,-x+y,z,-1
23 x-y,-y,z,-1
24 y,x,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
Co1_1 Co 0.00000 0.00000 0.00000
Co1_2 Co  0.33333 0.66667 0.00000
Rb1 Rb 0.66666 0.00000 0.25000
Br1_1 Br 0.16000 0.00000 0.25000
Br1_2 Br  0.66667 0.49333 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
Co1_1 0.00000 0.00000 3.4(2) 0,0,mz 3.4(2)
Co1_2 0.00000 0.00000 -3.4   0,0,mz 3.4

