
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_14196-ICSD
_database_code_ICSD 14196
_audit_creation_date 1980-12-31
_audit_update_record 2013-08-01
_chemical_name_common 'Dilithium tungstate'
_chemical_formula_structural 'Li2 (W O4)'
_chemical_formula_sum 'Li2 O4 W1'
_chemical_name_structure_type Li2WO4
_exptl_crystal_density_diffrn 5.99
_citation_title

;
The crystal structure of Li2 W O4 (IV) and its relation to the wolframite-type
structure
;
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' 1980 33 115 119 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Horiuchi, H.'
primary 'Morimoto, N.'
_cell_length_a 9.753(1)
_cell_length_b 5.954(1)
_cell_length_c 4.994(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.58(2)
_cell_angle_gamma 90.
_cell_volume 289.98
_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 0.32837(6) 0.25 . 1.
O1 O2- 8 f 0.3927(6) 0.1002(10) 0.4415(11) . 1.
O2 O2- 8 f 0.1263(6) 0.142(1) 0.1221(13) . 1.
Li1 Li1+ 8 f 0.299(3) 0.353(5) 0.246(5) . 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_beta_11
_atom_site_aniso_beta_22
_atom_site_aniso_beta_33
_atom_site_aniso_beta_12
_atom_site_aniso_beta_13
_atom_site_aniso_beta_23
W1 W6+ 0.00113(2) 0.00198(5) 0.00180(11) 0 -0.00010(3) 0
O1 O2- 0.0013(3) 0.0037(9) 0.0034(11) -0.0008(4) -0.0010(5) 0.0004(8)
O2 O2- 0.0013(3) 0.0028(9) 0.0090(15) -0.0013(4) 0.0008(6) 0.0001(9)
Li1 Li1+ 0.006(3) 0.012(6) 0.007(6) -0.002(3) 0.002(3) -0.005(5)
#End of TTdata_14196-ICSD