#(C) 2016 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_78074-ICSD
_database_code_ICSD 78074
_audit_creation_date 1995-10-17
_audit_update_record 1999-01-19
_chemical_name_systematic 'Yttrium vanadate'
_chemical_formula_structural 'Y (V O4)'
_chemical_formula_sum 'O4 V1 Y1'
_chemical_name_structure_type Zircon-ZrSiO4
_chemical_name_mineral Wakefieldite-(Y)
_exptl_crystal_density_diffrn 4.25
_publ_section_title

;
Crystal structure refinements of zircon-type M V O4 (M = Sc, Y, Ce, Pr, Nd,
Tb, Ho, Er, Tm, Yb, Lu)
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 1994 109 197 202 JSSCBI
loop_
_publ_author_name
'Chakoumakos, B.C.'
'Abraham, M.M.'
'Boatner, L.A.'
_cell_length_a 7.1183(1)
_cell_length_b 7.1183(1)
_cell_length_c 6.2893(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 318.68
_cell_formula_units_Z 4
_symmetry_space_group_name_H-M 'I 41/a m d Z'
_symmetry_Int_Tables_number 141
_refine_ls_R_factor_all 0.0382
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'y+1/4, x+3/4, -z+1/4'
2 'y+1/4, -x+3/4, -z+1/4'
3 'x, y+1/2, -z'
4 'x, -y, -z'
5 '-y+3/4, x+3/4, -z+1/4'
6 '-y+3/4, -x+3/4, -z+1/4'
7 '-x, y+1/2, -z'
8 '-x, -y, -z'
9 '-y+3/4, -x+1/4, z+3/4'
10 '-y+3/4, x+1/4, z+3/4'
11 '-x, -y+1/2, z'
12 '-x, y, z'
13 'y+1/4, -x+1/4, z+3/4'
14 'y+1/4, x+1/4, z+3/4'
15 'x, -y+1/2, z'
16 'x, y, z'
17 'y+3/4, x+1/4, -z+3/4'
18 'y+3/4, -x+1/4, -z+3/4'
19 'x+1/2, y, -z+1/2'
20 'x+1/2, -y+1/2, -z+1/2'
21 '-y+1/4, x+1/4, -z+3/4'
22 '-y+1/4, -x+1/4, -z+3/4'
23 '-x+1/2, y, -z+1/2'
24 '-x+1/2, -y+1/2, -z+1/2'
25 '-y+1/4, -x+3/4, z+1/4'
26 '-y+1/4, x+3/4, z+1/4'
27 '-x+1/2, -y, z+1/2'
28 '-x+1/2, y+1/2, z+1/2'
29 'y+3/4, -x+3/4, z+1/4'
30 'y+3/4, x+3/4, z+1/4'
31 'x+1/2, -y, z+1/2'
32 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Y3+ 3
V5+ 5
O2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Y1 Y3+ 4 a 0 0.75 0.125 . 1. 0
V1 V5+ 4 b 0 0.25 0.375 0.005 1. 0
O1 O2- 16 h 0 0.4342(1) 0.2008(1) . 1. 0
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Y1 Y3+ 0.0041(3) 0.0041(3) 0.0037(4) 0 0 0
O1 O2- 0.0131(3) 0.0041(3) 0.0047(3) 0 0 0.0014(3)
#End of TTdata_78074-ICSD