
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_35250-ICSD
_database_code_ICSD 35250
_audit_creation_date 1982-12-31
_audit_update_record 2012-08-01
_chemical_name_common 'Dipotassium tetradecalithium tetradecaoxotriplumbate'
_chemical_formula_structural 'K2 Li14 (Pb3 O14)'
_chemical_formula_sum 'K2 Li14 O14 Pb3'
_chemical_name_structure_type K2Li14Pb3O4
_exptl_crystal_density_diffrn 4.59
_citation_title
'Das erste Oligooxoplumbat(IV) Zur Kenntnis von K2 Li14 (Pb3 O14)'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Anorganische und Allgemeine Chemie (1950) (DE)' 1982
493 93 103 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Brazel, B.'
primary 'Hoppe, R.'
_cell_length_a 12.7990(9)
_cell_length_b 7.9446(4)
_cell_length_c 7.2620(4)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 738.42
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'I m m m'
_space_group_IT_number 71
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, -z'
2 'x, -y, z'
3 '-x, y, z'
4 '-x, -y, -z'
5 '-x, -y, z'
6 '-x, y, -z'
7 'x, -y, -z'
8 'x, y, z'
9 'x+1/2, y+1/2, -z+1/2'
10 'x+1/2, -y+1/2, z+1/2'
11 '-x+1/2, y+1/2, z+1/2'
12 '-x+1/2, -y+1/2, -z+1/2'
13 '-x+1/2, -y+1/2, z+1/2'
14 '-x+1/2, y+1/2, -z+1/2'
15 'x+1/2, -y+1/2, -z+1/2'
16 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb4+ 4
K1+ 1
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 0.2730(1) 0 0 . 1.
Pb2 Pb4+ 2 a 0 0 0 . 1.
K1 K1+ 4 j 0.5 0 0.2574(11) . 1.
Li1 Li1+ 4 h 0 0.155(5) 0.5 . 1.
Li2 Li1+ 8 n 0.2251(22) 0.3537(33) 0 . 1.
Li3 Li1+ 16 o 0.1350(16) 0.1518(32) 0.2720(29) . 1.
O1 O2- 8 m 0.2529(9) 0 0.7096(15) . 1.
O2 O2- 4 i 0 0 0.2939(23) . 1.
O3 O2- 8 n 0.1243(8) 0.1825(17) 0 . 1.
O4 O2- 8 n 0.3718(8) 0.2152(18) 0 . 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+ 0.0020(3) 0.0076(3) 0.0037(3) 0 0 0
Pb2 Pb4+ 0.0017(4) 0.0109(5) 0.0034(4) 0 0 0
K1 K1+ 0.0234(28) 0.0478(39) 0.0234(30) 0 0 0
Li1 Li1+ 0.0048(79) 0.0181(85) 0.0010(77) 0 0 0
Li2 Li1+ 0.0174(77) 0.0096(74) 0.0034(70) 0.0075(70) 0 0
Li3 Li1+ 0.0235(71) 0.0198(71) 0.0025(59) -0.0074(61) 0.0034(55) 0.0003(62)
O1 O2- 0.0048(35) 0.0151(43) 0.0025(38) 0 0.0023(33) 0
O2 O2- 0.0053(49) 0.0139(55) 0.0079(53) 0 0 0
O3 O2- 0.0102(42) 0.0128(45) 0.0083(42) -0.0082(36) 0 0
O4 O2- 0.0057(39) 0.0133(45) 0.0160(48) -0.0032(35) 0 0
#End of TTdata_35250-ICSD