
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_35182-ICSD
_database_code_ICSD 35182
_audit_creation_date 1982-12-31
_audit_update_record 2012-02-01
_chemical_name_common 'Dilithium plumbate'
_chemical_formula_structural 'Li2 (Pb O3)'
_chemical_formula_sum 'Li2 O3 Pb1'
_chemical_name_structure_type Li2PbO3
_exptl_crystal_density_diffrn 6.94
_citation_title 'Ueber Oxoplumbate(IV). Die Kristallstruktur von TT-Li2 Pb O3'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary

;
Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische
Chemie
; 1982 37 1369 1374 ZNBAD2
loop_
_citation_author_citation_id
_citation_author_name
primary 'Brazel, B.'
primary 'Hoppe, R.'
_cell_length_a 5.4452(7)
_cell_length_b 9.2612(7)
_cell_length_c 5.4756(8)
_cell_angle_alpha 90.
_cell_angle_beta 111.216(13)
_cell_angle_gamma 90.
_cell_volume 257.41
_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
Pb4+ 4
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
Pb1 Pb4+ 4 e 0 0.0897(1) 0.25 . 1.
Li1 Li1+ 4 e 0 0.4268(32) 0.25 . 1.
Li2 Li1+ 4 e 0 0.7618(52) 0.25 . 1.
O1 O2- 8 f 0.2381(21) 0.0793(9) 0.0135(21) . 1.
O2 O2- 4 d 0.25 0.25 0.5 . 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb1 Pb4+ 0.0062(3) 0.0054(3) 0.0046(3) 0 0.0018(2) 0
Li1 Li1+ 0.0101(62) 0.0082(61) 0.0177(64) 0 -0.0098(61) 0
Li2 Li1+ 0.0392(66) 0.0549(68) 0.0427(67) 0 0.0239(64) 0
O1 O2- 0.0133(34) 0.0114(35) 0.0102(33) -0.0005(24) 0.0044(29) 0.0005(24)
O2 O2- 0.0167(45) 0.0140(45) 0.0149(44) 0.0020(38) 0.0041(39) -0.0013(39)
#End of TTdata_35182-ICSD