#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:09:30
# Database entry: 1.51 Cs2CoCl4
# Cif-like file for the case 1.51


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                    'Cs2 Co Cl4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        65
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            144432
_citation_year                  2002
_citation_DOI                   10.1103/physrevb.65.144432

loop_
_citation_author_name
"M. Kenzelmann"
"R. Coldea"
"D.A. Tennant"
"D. Visser"
"M. Hofmann"
"P. Smeibidl"
"Z. Tylczynski"





_atomic_positions_source_database_code_ICSD   62548
_atomic_positions_source_other               .

_transition_temperature     0.217(5)
_experiment_temperature     0.08

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT1 2 2 general primary . .

_exptl_crystal_magnetic_properties_details
;
NSD
;

_active_magnetic_irreps_details
;
1k-magnetic structure. Non-collinear
Polar non-centrosymmetric structure
The relation between the moments of the two Co sites are not symmetry-forced.
The small opposite c-components of the two independent Co moments (close to their standard deviation) makes the spin mode to take a general direction in the 2-dim irrep. If the small c-components of the moments are disregarded, the magnetic structure would have a higher centro-symmetric MSG (a k-maximal magnetic symmetry), with a single independent Co-site (collinear).
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  'a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,a,1/2b+1/2c;0,3/8,-1/8'


_space_group_magn.number_BNS  4.10
_space_group_magn.name_BNS  "P_a  2_1"
_space_group_magn.point_group_name  "21'"
_space_group_magn.point_group_number  "3.2.7"
_cell_length_a                 9.7200
_cell_length_b                 14.6260
_cell_length_c                 25.6440
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x+1/2,-y+3/4,-z+3/4,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x,y+1/2,z,-1
4 x,y,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs1_1 Cs 0.35987 0.12500 0.05037 1
Cs1_2 Cs 0.64013 -0.12500 -0.05037 1
Cs2_1 Cs 0.02224 0.12500 -0.08818 1
Cs2_2 Cs -0.02224 -0.12500 0.08818 1
Co1_1 Co 0.76486 0.12500 0.03886 1
Co1_2 Co 0.23514 -0.12500 -0.03886 1
Cl1_1 Cl -0.00372 0.12500 0.04997 1
Cl1_2 Cl 0.00372 0.37500 0.450035 1
Cl2_1 Cl 0.68766 0.12500 0.4556 1
Cl2_2 Cl 0.31234 0.37500 0.04440 1
Cl31_1 Cl 0.67403 0.25089 0.07641 1
Cl31_2 Cl 0.32597 -0.25089 -0.07641 1
Cl32_1 Cl 0.82597 0.24911 0.326415 1
Cl32_2 Cl 0.17403 0.25089 0.173585 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 -1.6(4) -0.4(2) mx,my,mz
Co1_2 0.0 -1.6(4) 0.4(2) mx,my,mz

