#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:53:43
# Database entry: 0.70 Na3Co(CO3)2Cl
# Cif-like file for the case 0.70


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                    'Na3 Co (C O3 )2Cl'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        87
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214406
_citation_year                  2013
_citation_DOI                   10.1103/PhysRevB.87.214406

loop_
_citation_author_name
"Z. Fu"
"Y. Zheng"
"Y. Xiao"
"S. Bedanta"
"A. Senyshyn"
"G.G. Simeoni"
"Y. Su"
"U. Rucker"
"P. Kogerler"
"T. Bruckel"






_atomic_positions_source_database_code_ICSD   262045
_atomic_positions_source_other               .

_transition_temperature     1.5
_experiment_temperature     0.05

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

_exptl_crystal_magnetic_properties_details
;
NPD
magnitude of spins unknown. Arbitrary scale used
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'F  d  -3'
_parent_space_group.IT_number                       203
_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  203.26
_space_group_magn.name_BNS  "F  d  -3"
_space_group_magn.point_group_name  "m-3"
_space_group_magn.point_group_number  "29.1.109"
_cell_length_a                 13.99590
_cell_length_b                 13.99590
_cell_length_c                 13.99590
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x,-y+3/4,-z+3/4,+1
3 -x+3/4,y,-z+3/4,+1
4 -x+3/4,-y+3/4,z,+1
5 z,x,y,+1
6 y,z,x,+1
7 -y+3/4,z,-x+3/4,+1
8 -z+3/4,-x+3/4,y,+1
9 -y+3/4,-z+3/4,x,+1
10 z,-x+3/4,-y+3/4,+1
11 y,-z+3/4,-x+3/4,+1
12 -z+3/4,x,-y+3/4,+1
13 -x,-y,-z,+1
14 -x,y+1/4,z+1/4,+1
15 x+1/4,-y,z+1/4,+1
16 x+1/4,y+1/4,-z,+1
17 -z,-x,-y,+1
18 -y,-z,-x,+1
19 y+1/4,-z,x+1/4,+1
20 z+1/4,x+1/4,-y,+1
21 y+1/4,z+1/4,-x,+1
22 -z,x+1/4,y+1/4,+1
23 -y,z+1/4,x+1/4,+1
24 z+1/4,-x,y+1/4,+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+1/2,y,z+1/2,+1
4 x+1/2,y+1/2,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 Co 0.00000 0.00000 0.00000 1
Na1 Na 0.40071 0.12500 0.12500 1
O1 O 0.97581 0.64680 0.51647 1
C1 C 0.78277 0.78277 0.78277 1
Cl1 Cl 0.50000 0.50000 0.50000 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. 1. 1. mx,mx,mx

