data_1531189
_publ_section_title
;
 Neutron diffraction, X-ray diffraction and specific heat studies of
 orbital ordering in Y V O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              1741121
_journal_page_last               1741129
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'O3 V Y'
_chemical_name_systematic        'Y (V O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.28164
_cell_length_b                   5.58868
_cell_length_c                   7.5503
_cell_volume                     222.865
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Blake_PRBMDO_2002_815.cif
_cod_data_source_block           O3V1Y1
_cod_cif_authors_sg_Hall         '-P 2ac 2n (z,x,y)'
_cod_original_cell_volume        222.8652
_cod_chemical_formula_sum_orig   'O3 V1 Y1'
_cod_database_code               1531189
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V1 V+3 0 0 0 1 0.0
Y1 Y+3 0.97859 0.42944 0.75 1 0.0
O1 O-2 0.88757 0.9614 0.25 1 0.0
O2 O-2 0.18691 0.29958 0.0571 1 0.0
