#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:57:13
# Database entry: 0.111 Co4Nb2O9
# Cif-like file for the case 0.111


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                    'Co4 Nb2 O9'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys. Chem. Solids
21(1961)234."
_citation_journal_volume        21
_citation_page_first            234
_citation_page_last             ?
_citation_article_id            .
_citation_year                  1961
_citation_DOI                   10.1016/0022-3697(61)90103-2

loop_
_citation_author_name
"E. Bertaut"
"L. Corliss"
"F. Forrat"
"R. Aleonard"
"R. Pauthenet"






_atomic_positions_source_database_code_ICSD   172186
_atomic_positions_source_other               .

_transition_temperature     30
_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
;
see also Journal of Magnetism and Magnetic Materials 322 (2010) L1ÐL3 and SCIENTIFIC REPORTS | 4 : 3860 | DOI: 10.1038/srep03860
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
linear magnetolectricity
;

_parent_space_group.name_H-M_alt  'P  -3c  1'
_parent_space_group.IT_number                       165
_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  165.94
_space_group_magn.name_BNS  "P  -3'c'  1"
_space_group_magn.point_group_name  "-3'm'"
_space_group_magn.point_group_number  "20.4.74"
_cell_length_a                 5.17360
_cell_length_b                 5.17360
_cell_length_c                 14.14570
_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

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
Nb1 Nb 0.00000 0.00000 0.14215 1
Co1 Co 0.33330 0.66670 0.19304 1
Co2 Co 0.33330 0.66670 0.98623 1
O1 O 0.28760 0.00000 0.25000 1
O2 O 0.02350 0.68210 0.08470 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
Nb1 0.0 0.0 0.0 0,0,mz
Co1 0.0 0.0 3. 0,0,mz
Co2 0.0 0.0 3. 0,0,mz

