#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:10:26
# Database entry: 1.70 CoV2O6
# Cif-like file for the case 1.70


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                    'Co V2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        192
_citation_page_first            390
_citation_page_last             393
_citation_article_id            .
_citation_year                  2012
_citation_DOI                   10.1016/j.jssc.2012.04.029

loop_
_citation_author_name
"M. Markkula"
"A.M. Arevalo-Lopez"
"J.P. Attfield"





_atomic_positions_source_database_code_ICSD   263002
_atomic_positions_source_other               .

_transition_temperature     15
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM2+ 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
the reference erroneously identifies the propagation vector as (0 0 1/2)
;

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

_parent_space_group.name_H-M_alt  'C  2/m'
_parent_space_group.IT_number                       12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a-c,b,c;0,0,0'


_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c  2/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 9.22910
_cell_length_b                 3.50270
_cell_length_c                 13.19440
_cell_angle_alpha              90.00
_cell_angle_beta               112.08
_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,-z+1/2,+1
3 -x,-y,-z,+1
4 x,-y,z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z+1/2,+1
3 x,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 Co2+ 0.00000 0.00000 0.00000 1
V1 V 0.80900 0.00000 0.17150 1
O1 O 0.65360 0.00000 0.05525 1
O2 O 0.96670 0.00000 0.13895 1
O3 O 0.69120 0.00000 0.28100 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 2.20(8) 0.0 4.24(6) mx,0,mz

