#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:57:32
# Database entry: 0.118 Ba5Co5ClO13
# Cif-like file for the case 0.118


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                    'Ba5 Co5 Cl O1 3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Solid State Sciences"
_citation_journal_volume        10
_citation_page_first            471
_citation_page_last             475
_citation_article_id            .
_citation_year                  2008
_citation_DOI                   10.1016/j.solidstatesciences.2007.12.032

loop_
_citation_author_name
"O. Mentre"
"M. Kauffmann"
"G. Ehora"
"S. Daviero-Minaud"
"F. Abraham"
"P. Roussel"






_atomic_positions_source_database_code_ICSD   99371
_atomic_positions_source_other               .

_transition_temperature     110
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;

;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active: equivalence with MSG assignment
;

_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 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  194.268
_space_group_magn.name_BNS  "P  6_3'/m'  m'  c"
_space_group_magn.point_group_name  "6'/m'mm'"
_space_group_magn.point_group_number  "27.5.104"
_cell_length_a                 5.66900
_cell_length_b                 5.66900
_cell_length_c                 24.30400
_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,x-y,-z+1/2,+1
5 -x+y,y,-z+1/2,+1
6 -y,-x,-z+1/2,+1
7 -x,-y,-z,+1
8 y,-x+y,-z,+1
9 x-y,x,-z,+1
10 -x,-x+y,z+1/2,+1
11 x-y,-y,z+1/2,+1
12 y,x,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-y,-y,-z,-1
17 y,x,-z,-1
18 -x,-x+y,-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+y,y,z,-1
23 -y,-x,z,-1
24 x,x-y,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
Ba1 Ba 0.00000 0.00000 0.25000 1
Ba2 Ba 0.33330 0.66670 0.37135 1
Ba3 Ba 0.33330 0.66670 0.95991 1
Co1 Co 0.00000 0.00000 0.60285 1
Co2 Co 0.33330 0.66670 0.82316 1
Co3 Co 0.00000 0.00000 0.00000 1
Cl1 Cl 0.33330 0.66670 0.25000 1
O1 O 0.83880 0.67760 0.35063 1
O2 O 0.14690 0.29380 0.44984 1
O3 O 0.33330 0.66670 0.75000 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 0.0 0.0 -0.61(7) 0,0,mz
Co2 0.0 0.0 2.21(7) 0,0,mz
Co3 0.0 0.0 0.35(8) 0,0,mz

