#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:04:02
# Database entry: 1.0.6 CoV2O6
# Cif-like file for the case 1.0.6


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        "PHYSICAL REVIEW B"
_citation_journal_volume        86
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            134401
_citation_year                  2012
_citation_DOI                   10.1103/physrevb.86.134401

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     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mB2 2 1 special primary ? ?
mGM2+ 1 1 . secondary ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
setting used related with the one in the reference by (-a,-b,c;0, 0 ,0)
magnetic phase between 1.9-3.2 T. Measurement at 2.5 T
above 3.2 T the system becomes ferromagnetic.
spin orientation on the ac plane is undetermined.
for simplicity the orientation is taken along z
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
the ++- configuration along c requires the contribution of a 3k secondary FM mode (mGM2+).
Ferrimagnetic
;

_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 [-1/3 1 1/3]
k2 [0 0 0]

_parent_space_group.child_transform_Pp_abc  '-a-c,-b,3c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a+c,b,c;0,0,0'


_space_group_magn.number_BNS  12.62
_space_group_magn.name_BNS  "C  2'/m'  "
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 9.10590
_cell_length_b                 3.50270
_cell_length_c                 19.79160
_cell_angle_alpha              90.00
_cell_angle_beta               110.09
_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
4 x,-y,z,-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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co1_1 Co 0.00000 0.00000 0.00000 1
Co1_2 Co 0.00000 0.00000 0.33333 1
V1_1 V 0.19100 0.00000 0.84467 1
V1_2 V 0.19100 0.00000 0.17800 1
V1_3 V 0.80900 0.00000 0.48867 1
O1_1 O 0.34640 0.00000 0.81897 1
O1_2 O 0.34640 0.00000 0.15230 1
O1_3 O 0.65360 0.00000 0.51437 1
O2_1 O 0.03330 0.00000 0.77040 1
O2_2 O 0.03330 0.00000 0.10373 1
O2_3 O 0.96670 0.00000 0.56293 1
O3_1 O 0.30880 0.00000 0.95693 1
O3_2 O 0.30880 0.00000 0.29027 1
O3_3 O 0.69120 0.00000 0.37640 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 0.0 0.0 4.4(1) mx,0,mz
Co1_2 0.0 0.0 -4.4(1) mx,0,mz

