#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:55:48
# Database entry: 0.106 DyVO3
# Cif-like file for the case 0.106


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                    'Dy V O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        83
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            064404
_citation_year                  2011
_citation_DOI                   10.1103/PhysRevB.83.064404

loop_
_citation_author_name
"M. Reehuis"
"C. Ulrich"
"K. Prokes"
"S. Mat'as"
"J. Fujioka"
"S. Miyasaka"
"Y. Tokura"
"B. Keimer"






_atomic_positions_source_database_code_ICSD   40392
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 5 .
mGM3+ 1 1 . primary 5 .

_exptl_crystal_magnetic_properties_details
;
NSD
Non standard parent setting Pbnm
The positional structure is supposed to have a monoclinic distortion reducing the symmetry to P21/b11. But it is not given in the reference.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2 irreps active.
The action of two irreps lowers the symmetry to monoclinic (monoclinic axis c in Pbnm setting).
The refined model includes constraints that are not forced by symmetry, or by the restriction to the two irreps.
If the P21/b11 structural distortion is also taken into account, the actual MSG of this phase reduces to P-1
The spontaneous ferroelectric polarization reported in Phys. Rev. B (2014) 90, 0244118 is inconsistent with this magnetic structure.
;

_parent_space_group.name_H-M_alt  'P  b  n  m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;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,-c,b;0,0,0'


_space_group_magn.number_BNS  11.54
_space_group_magn.name_BNS  "P  2_1'/m'  "
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 5.29200
_cell_length_b                 5.59800
_cell_length_c                 7.58600
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1_1 Dy 0.98140 0.06700 0.25000 1
Dy1_2 Dy 0.48140 0.43300 0.75000 1
V1_1 V 0.50000 0.00000 0.00000 1
V1_2 V 0.00000 0.50000 0.00000 1
O1_1 O 0.39260 0.96180 0.25000 1
O1_2 O 0.89260 0.53820 0.75000 1
O2_1 O 0.80770 0.80310 0.05490 1
O2_2 O 0.30770 0.69690 0.94510 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
Dy1_1 -4.8 -6.1 0.0 mx,my,0
Dy1_2 4.8 -6.1 0.0 mx,my,0
V1_1 0.0 0.0 1.45 mx,my,mz
V1_2 0.0 0.0 -1.45 mx,my,mz

