
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_21048-ICSD
_database_code_ICSD 21048
_audit_creation_date 1980-01-01
_chemical_name_common 'Lithium ditungstate'
_chemical_formula_structural 'Li2 W2 O7'
_chemical_formula_sum 'Li2 O7 W2'
_chemical_name_structure_type Li2W2O7
_exptl_crystal_density_diffrn 6.01
_citation_title 'Crystal structure of lithium bitungstate Li2 W2 O7'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary Kristallografiya 1973 18 269 276 KRISAJ
loop_
_citation_author_citation_id
_citation_author_name
primary 'Magarill, S.A.'
primary 'Klevtsova, R.F.'
primary 'Bakakin, V.V.'
_cell_length_a 8.26
_cell_length_b 7.1
_cell_length_c 5.06
_cell_angle_alpha 95.
_cell_angle_beta 78.
_cell_angle_gamma 110.
_cell_volume 272.72
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P -1'
_space_group_IT_number 2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, -y, -z'
2 'x, y, 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+ 2 i 0.1654(3) 0.9512(4) 0.3156(5) 0.09 1.
W2 W6+ 2 i 0.3217(3) 0.2518(4) 0.8030(5) 0.1 1.
O1 O2- 2 i 0.363(9) 0.111(10) 0.457(15) 1.7 1.
O2 O2- 2 i 0.244(9) 0.937(10) 0.973(15) 1.8 1.
O3 O2- 2 i 0.124(8) 0.722(10) 0.429(14) 1.6 1.
O4 O2- 2 i 0.203(5) 0.244(6) 0.150(9) 0.1 1.
O5 O2- 2 i 0.037(7) 0.082(9) 0.686(13) 1.1 1.
O6 O2- 2 i 0.535(8) 0.312(9) 0.862(9) 1.3 1.
O7 O2- 2 i 0.303(12) 0.467(15) 0.721(19) 2.2 1.
Li1 Li1+ 2 i 0.37 0.8 0.55 . 1.
Li2 Li1+ 2 i 0.23 0.58 0.05 . 1.
#End of TTdata_21048-ICSD