#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:04:09
# Database entry: 1.0.9 CsCoCl3
# Cif-like file for the case 1.0.9


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Cs Co Cl3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys. Soc. Japan"
_citation_journal_volume        44
_citation_page_first            806
_citation_page_last             812
_citation_article_id            .
_citation_year                  1978
_citation_DOI                   10.1143/jpsj.44.806

loop_
_citation_author_name
"M. Mekata"
"K. Adachi"





_atomic_positions_source_database_code_ICSD   27511
_atomic_positions_source_other               .

_transition_temperature     20.82
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mK3(k1) 2 2 special primary ? ?
mGM4+(k2) 1 1 . secondary ? ?

_exptl_crystal_magnetic_properties_details
;
NSD
unit cell oblique with respect to parent
standard setting is used
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
near equal magnitudes of the independent moments are due to the presence of the secondary spin mode with zero propagation vector.
the mode mK3, if alone, would imply mz(Co1_2)=-mz(Co1-1)/2
;

_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  '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'  "
_space_group_magn.point_group_name  "6'/m'mm'"
_space_group_magn.point_group_number  "27.5.104"
_cell_length_a                 12.47410
_cell_length_b                 12.47410
_cell_length_c                 6.03150
_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
_atom_site_occupancy
Co1_1 Co 0.00000 0.00000 0.00000 1
Co1_2 Co 0.33333 0.66667 0.00000 1
Cs1_1 Cs 0.66667 0.00000 0.25000 1
Cl1_1 Cl 0.15450 0.00000 0.25000 1
Cl1_2 Cl 0.48783 0.66667 0.25000 1

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1_1 0.0 0.0 -2.8 0,0,mz
Co1_2 0.0 0.0 2.66 0,0,mz

