
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_1897-ICSD
_database_code_ICSD 1897
_audit_creation_date 1980-01-01
_audit_update_record 2010-02-01
_chemical_name_common 'Dilithium closo-ditungstate'
_chemical_formula_structural 'Li2 (W2 O7)'
_chemical_formula_sum 'Li2 O7 W2'
_chemical_name_structure_type Li2W2O7
_exptl_crystal_density_diffrn 6.08
_citation_title 'The crystal structure of 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

;
Acta Crystallographica, Section B: Structural Crystallography and Crystal
Chemistry
; 1975 31 1451 1454 ACBCAR
loop_
_citation_author_citation_id
_citation_author_name
primary 'Morikawa, H.'
primary 'Okada, K.'
primary 'Marumo, F.'
primary 'Iwai, S.I.'
_cell_length_a 8.283(3)
_cell_length_b 7.050(1)
_cell_length_c 5.037(1)
_cell_angle_alpha 85.40(2)
_cell_angle_beta 102.13(3)
_cell_angle_gamma 110.29(1)
_cell_volume 269.72
_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
Li1+ 1
O2- -2
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 0.17852(7) 0.24834(9) 0.30834(12) . 1.
W2 W6+ 2 i 0.66509(7) 0.45137(8) 0.18348(12) . 1.
Li1 Li1+ 2 i 0.2793(57) 0.0085(65) 0.8540(87) 2.7 1.
Li2 Li1+ 2 i 0.9032(57) 0.2645(65) 0.7089(88) 1.9 1.
O1 O2- 2 i 0.8689(16) 0.6019(18) 0.0450(25) 1. 1.
O2 O2- 2 i 0.7005(15) 0.7497(18) 0.3511(25) 1. 1.
O3 O2- 2 i 0.8181(17) 0.9763(20) 0.8232(27) 1.2 1.
O4 O2- 2 i 0.5757(16) 0.5820(18) 0.8222(25) 1. 1.
O5 O2- 2 i 0.6268(19) 0.2109(22) 0.0685(29) 1.5 1.
O6 O2- 2 i 0.9628(18) 0.1894(20) 0.3517(27) 1.2 1.
O7 O2- 2 i 0.7635(17) 0.4348(19) 0.5313(26) 1.1 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+ 0.00394(7) 0.00441(10) 0.00793(19) 0.00154(6) 0.00158(9) -0.00038(10)
W2 W6+ 0.00353(7) 0.00415(9) 0.00814(18) 0.00175(6) 0.00130(9) -0.00016(10)
#End of TTdata_1897-ICSD