
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_15395-ICSD
_database_code_ICSD 15395
_audit_creation_date 1980-01-01
_audit_update_record 2005-10-01
_chemical_name_common 'Dilithium tungstate'
_chemical_formula_structural 'Li2 (W O4)'
_chemical_formula_sum 'Li2 O4 W1'
_chemical_name_structure_type Be2SiO4
_exptl_crystal_density_diffrn 4.56
_citation_title 'The crystal structure of lithium tungstate'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica' 1961 14 229 230 ACCRA9
loop_
_citation_author_citation_id
_citation_author_name
primary 'Zachariasen, W.H.'
primary 'Plettinger, H.A.'
_cell_length_a 14.361(3)
_cell_length_b 14.361(3)
_cell_length_c 9.602(2)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 1714.99
_cell_formula_units_Z 18
_space_group_name_H-M_alt 'R -3 H'
_space_group_IT_number 148
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x-y, x, -z'
2 'y, -x+y, -z'
3 '-x, -y, -z'
4 '-x+y, -x, z'
5 '-y, x-y, z'
6 'x, y, z'
7 'x-y+2/3, x+1/3, -z+1/3'
8 'y+2/3, -x+y+1/3, -z+1/3'
9 '-x+2/3, -y+1/3, -z+1/3'
10 '-x+y+2/3, -x+1/3, z+1/3'
11 '-y+2/3, x-y+1/3, z+1/3'
12 'x+2/3, y+1/3, z+1/3'
13 'x-y+1/3, x+2/3, -z+2/3'
14 'y+1/3, -x+y+2/3, -z+2/3'
15 '-x+1/3, -y+2/3, -z+2/3'
16 '-x+y+1/3, -x+2/3, z+2/3'
17 '-y+1/3, x-y+2/3, z+2/3'
18 'x+1/3, y+2/3, z+2/3'
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+ 18 f -0.02035(7) 0.19537(7) 0.25069(10) 0.176 1.
O1 O2- 18 f 0.1117(16) 0.2112(16) 0.2500(21) 1.11 1.
O2 O2- 18 f -0.0010(16) 0.3275(16) 0.2502(21) 1.04 1.
O3 O2- 18 f -0.0909(16) 0.1238(16) 0.0993(21) 1.68 1.
O4 O2- 18 f -0.0970(16) 0.1235(16) 0.4028(21) 0.95 1.
Li1 Li1+ 18 f -0.014(4) 0.191(4) 0.591(5) 2.5 1.
Li2 Li1+ 18 f -0.027(4) 0.187(4) 0.911(5) 2.5 1.
#End of TTdata_15395-ICSD