#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:06:13
# Database entry: 1.17 CoV2O6-alpha
# Cif-like file for the case 1.17


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 -a l p h a'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        86
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214428
_citation_year                  2012
_citation_DOI                   10.1103/physrevb.86.214428

loop_
_citation_author_name
"M. Lenertz"
"J. Alaria"
"D. Stoeffler"
"S. Colis"
"A. Dinia"
"O. Mentre"
"G. Andre"
"F. Porcher"
"E. Suard"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     14
_experiment_temperature     1.5

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
Co position in the parent corrected to (0,0,0.5)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (from 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 [1 0 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;0,0,1/4'


_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                 9.25000
_cell_length_b                 3.51010
_cell_length_c                 13.22600
_cell_angle_alpha              90.00
_cell_angle_beta               112.07
_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
3 -x,-y,-z+1/2,+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 Co 0.00000 0.00000 0.25000 1
V1 V 0.19400 0.00000 0.07750 1
O1 O 0.03560 0.00000 0.11185 1
O2 O 0.34690 0.00000 0.19500 1
O3 O 0.69240 0.00000 0.03265 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 -0.72 0.0 4.77 mx,0,mz

