
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_1044-ICSD
_database_code_ICSD 1044
_audit_creation_date 1980-01-01
_audit_update_record 2012-08-01
_chemical_name_common 'Dilithium tungstate - LT'
_chemical_formula_structural 'Li2 (W O4)'
_chemical_formula_sum 'Li2 O4 W1'
_chemical_name_structure_type Li2WO4
_exptl_crystal_density_diffrn 6.
_citation_title

;
The structure of Li2 W O4 (IV). A high pressure polymorph of lithium
wolframate. Structure determination by use of Guinier-Haegg powder diffraction
data.
;
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 6 225 230 CSCMCS
loop_
_citation_author_citation_id
_citation_author_name
primary 'Wilhelmi, K.A.'
primary 'Waltersson, K.'
primary 'Werner, P.E.'
_cell_length_a 9.7551(8)
_cell_length_b 5.9465(5)
_cell_length_c 4.9932(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.563(7)
_cell_angle_gamma 90.
_cell_volume 289.64
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'C 1 2/c 1'
_space_group_IT_number 15
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 '-x, -y, -z'
3 '-x, y, -z+1/2'
4 'x, y, z'
5 'x+1/2, -y+1/2, z+1/2'
6 '-x+1/2, -y+1/2, -z'
7 '-x+1/2, y+1/2, -z+1/2'
8 'x+1/2, y+1/2, z'
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+ 4 e 0 -0.1702(5) 0.25 0.43 1.
O1 O2- 8 f 0.360(2) 0.124(4) 0.379(4) 3.1 1.
O2 O2- 8 f 0.111(2) 0.920(4) 0.563(5) 2.3 1.
Li1 Li1+ 8 f 0.326(4) 0.862(7) 0.195(9) 5. 1.
#End of TTdata_1044-ICSD