#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/16/2021

data_5yOhtAoR
_audit_creation_date            2021-11-16
_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                    "Y V O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        73
_citation_page_first            .
_citation_page_last             .
_citation_article_id            094440
_citation_year                  2006
_citation_DOI                   10.1103/PhysRevB.73.094440

loop_
_citation_author_name
"M. Reehuis"
"C. Ulrich"
"P. Pattison"
"B. Ouladdiaf"
"M. C. Rheinstadter"
"M. Ohl"
"L. P. Regnault"
"M. Miyasaka"
"Y. Tokura"
"B. Keimer"

_temperature_position_structure         5
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  155476
_atomic_positions_source_other               .

_transition_temperature     77
_experiment_temperature     10

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

_exptl_crystal_magnetic_properties_details
;
NPD
Non standard parent space group Pbnm
Position structure from a determination at 5K.
FM along a in the parent Pbnm setting)
Between 116K and 77K a different magnetic phase of lower symmetry is reported (see #0.788)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_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  'b,c,a;0,0,0'

_space_group_magn.number_BNS  62.446
_space_group_magn.name_BNS  "P n' m' a"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.28550
_cell_length_b                 5.59260
_cell_length_c                 7.55610
_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+1/2,-y+1/2,-z,+1 
3 -x,-y,-z,+1 
4 -x+1/2,y+1/2,z,+1 
5 -x+1/2,y+1/2,-z+1/2,-1 
6 -x,-y,z+1/2,-1 
7 x+1/2,-y+1/2,z+1/2,-1 
8 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
Y1 Y 0.47830 0.42850 0.75000 1
V1 V 0.50000 0.00000 0.00000 1
O1 O 0.61260 0.03780 0.75000 1
O2 O 0.68720 0.29960 0.05663 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
V1 0.0 0.0 1.72(5) mx,my,mz 1.72(5) ? ?

