
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_38350-ICSD
_database_code_ICSD 38350
_audit_creation_date 1984-12-31
_chemical_name_common 'Lithium tetraoxoplumbate'
_chemical_formula_structural 'Li4 Pb O4'
_chemical_formula_sum 'Li4 O4 Pb1'
_chemical_name_structure_type Li4PbO4
_exptl_crystal_density_diffrn 5.02
_citation_title 'Eine Notiz ueber Li4 (Pb O4)1'
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
; 1984 39 566 576 ZNBAD2
loop_
_citation_author_citation_id
_citation_author_name
primary 'Stoll, H.'
primary 'Hoppe, R.'
_cell_length_a 8.3143(23)
_cell_length_b 7.2983(24)
_cell_length_c 6.5197(18)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 395.62
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'C m c m'
_space_group_IT_number 63
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, y, -z+1/2'
2 '-x, -y, z+1/2'
3 '-x, y, z'
4 '-x, -y, -z'
5 'x, -y, z+1/2'
6 'x, y, -z+1/2'
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'
12 '-x+1/2, -y+1/2, -z'
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'
16 '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 c 0 0.3533 0.25 . 1.
Li1 Li1+ 8 g 0.1452(8) 0.7402(8) 0.25 . 1.
Li2 Li1+ 8 e 0.1532(8) 0 0 . 1.
O1 O2- 8 f 0 0.7952(3) 0.0186(4) . 1.
O2 O2- 8 g 0.2794(3) 0.9827(3) 0.25 . 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+ 0.0043 0.0071 0.0060(1) 0 0 0
Li1 Li1+ 0.0116(16) 0.0072(14) 0.0128(16) -0.0002(14) 0 0
Li2 Li1+ 0.0100(16) 0.0103(15) 0.0158(16) 0 0 0.0019(15)
O1 O2- 0.0084(7) 0.0088(7) 0.0088(7) 0 0 -0.0012(5)
O2 O2- 0.0065(6) 0.0089(6) 0.0109(7) -0.0001(5) 0 0
#End of TTdata_38350-ICSD