
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_1045-ICSD
_database_code_ICSD 1045
_audit_creation_date 1980-01-01
_audit_update_record 2012-08-01
_chemical_name_common 'Dilithium tungstate'
_chemical_formula_structural 'Li2 (W O4)'
_chemical_formula_sum 'Li2 O4 W1'
_chemical_name_structure_type CdBi2O4
_exptl_crystal_density_diffrn 5.78
_citation_title

;
The structure of Li2 W O4 (II). A high pressure polymorph of lithium
wolframate. A structure derived by use of an x-ray powder photograph, also
containing an additional phase.
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Crystal Structure Communications' 1977 6 231 235 CSCMCS
loop_
_citation_author_citation_id
_citation_author_name
primary 'Wilhelmi, K.A.'
primary 'Waltersson, K.'
primary 'Werner, P.E.'
_cell_length_a 11.9541(3)
_cell_length_b 11.9541(3)
_cell_length_c 8.4175(4)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 1202.87
_cell_formula_units_Z 16
_space_group_name_H-M_alt 'I 41/a m d Z'
_space_group_IT_number 141
loop_
_space_group_symop_id
_space_group_symop_operation_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
W6+ 6
O2- -2
Li1+ 1
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
W1 W6+ 16 h 0 0.1132(2) 0.2234(3) 0.9 1.
O1 O2- 16 h 0 0.127(2) 0.016(4) 2.3 1.
O2 O2- 16 h 0 0.138(2) 0.473(6) 2.5 1.
O3 O2- 32 i 0.124(2) 0.026(2) 0.258(3) 1.4 1.
Li1 Li1+ 16 g -0.116(4) 0.134(4) 0.875 5. 1.
Li2 Li1+ 16 f 0.351(5) 0 0 3. 1.
#End of TTdata_1045-ICSD