#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:09:57
# Database entry: 1.60 Ca3Co2O6
# Cif-like file for the case 1.60


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                    'Ca3 Co2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        106
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            197204
_citation_year                  2011
_citation_DOI                   10.1103/physrevlett.106.197204

loop_
_citation_author_name
"S. Agrestini"
"C.L. Fleck"
"L.C. Chapon"
"C. Mazzoli"
"A. Bombardi"
"M.R. Lees"
"O.A. Petrenko"





_atomic_positions_source_database_code_ICSD   246282
_atomic_positions_source_other               .

_transition_temperature     12
_experiment_temperature     10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mF2+ 3 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
coexistence with an INC phase.
Phase emerges in slow time scale
only Co2 magnetic active
arbitrary moment scale
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic structure
active 1-dim small irrep
;

_parent_space_group.name_H-M_alt  'R  -3c'
_parent_space_group.IT_number                       167
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/6a-1/6b+2/3c,-1/2a-1/2b,1/6a-1/6b-1/3c;0,0,0'


_space_group_magn.number_BNS  14.84
_space_group_magn.name_BNS  "P_C  2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 18.11340
_cell_length_b                 18.11340
_cell_length_c                 10.35890
_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+1/6,x+1/3,-z+1/6,+1
3 -x,-y,-z,+1
4 -y+1/6,-x+1/3,z+1/6,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/6,y+5/6,z+2/3,+1
3 x+1/3,y+2/3,z+1/3,+1
4 x+1/2,y+1/2,z,+1
5 x+2/3,y+1/3,z+2/3,+1
6 x+5/6,y+1/6,z+1/3,+1
7 x+5/6,y+2/3,z+1/3,-1
8 x,y+1/2,z,-1
9 x+1/6,y+1/3,z+2/3,-1
10 x+1/3,y+1/6,z+1/3,-1
11 x+1/2,y,z,-1
12 x+2/3,y+5/6,z+2/3,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1_1 Ca 0.18460 0.00000 0.25000 1
Ca1_2 Ca 0.81540 0.81540 0.25000 1
Co1 Co 0.00000 0.00000 0.00000 1
Co2 Co 0.00000 0.00000 0.25000 1
O1_1 O 0.08830 0.01220 0.11380 1
O1_2 O 0.98780 0.07610 0.11380 1
O1_3 O 0.92390 0.91170 0.11380 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 mx,my,mz
Co2 0.0 0.0 1. mx,-mx,mz

