
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_1123-ICSD
_database_code_ICSD 1123
_audit_creation_date 1980-01-01
_audit_update_record 2010-02-01
_chemical_name_common 'Lead lithium tris(catena-phosphate(V))'
_chemical_formula_structural 'Li Pb (P O3)3'
_chemical_formula_sum 'Li1 O9 P3 Pb1'
_chemical_name_structure_type LiPb(PO3)3
_exptl_crystal_density_diffrn 4.24
_citation_title
'Structure cristalline du polyphosphate de lithium-plomb. Pb Li (P O3)3'
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
; 1977 33 2713 2716 ACBCAR
loop_
_citation_author_citation_id
_citation_author_name
primary 'Guitel, J.C.'
primary 'Brunel-Lauegt, M.'
_cell_length_a 7.245(3)
_cell_length_b 7.409(3)
_cell_length_c 6.795(3)
_cell_angle_alpha 100.76(5)
_cell_angle_beta 97.96(5)
_cell_angle_gamma 83.74(5)
_cell_volume 353.58
_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
Pb2+ 2
Li1+ 1
P5+ 5
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 Pb2+ 2 i 0.23034(3) 0.15337(3) -0.02518(3) . 1.
Li1 Li1+ 2 i 0.1670(15) 0.1688(14) 0.4575(15) . 1.
P1 P5+ 2 i 0.8433(2) 0.4412(2) 0.2342(2) . 1.
P2 P5+ 2 i 0.6145(2) 0.2193(2) 0.4150(2) . 1.
P3 P5+ 2 i 0.7177(2) 0.2299(2) 0.8482(2) . 1.
O1 O2- 2 i 0.7738(7) 0.4179(7) -0.0074(8) . 1.
O2 O2- 2 i 0.6690(7) 0.3867(7) 0.3221(8) . 1.
O3 O2- 2 i 0.6491(7) 0.3099(7) 0.6499(8) . 1.
O4 O2- 2 i 0.8529(8) 0.6449(8) 0.2967(8) . 1.
O5 O2- 2 i 0.0097(8) 0.3116(8) 0.2657(8) . 1.
O6 O2- 2 i 0.4112(8) 0.2044(8) 0.3577(9) . 1.
O7 O2- 2 i 0.7486(8) 0.0520(7) 0.3740(8) . 1.
O8 O2- 2 i 0.5649(8) 0.1613(8) 0.9304(9) . 1.
O9 O2- 2 i 0.8839(8) 0.0927(8) 0.8233(8) . 1.
#End of TTdata_1123-ICSD