
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_184917-ICSD
_database_code_ICSD 184917
_audit_creation_date 2013-02-01
_chemical_name_common 'Lithium lanthanum tetraphosphate'
_chemical_formula_structural 'Li La (P O3)4'
_chemical_formula_sum 'La1 Li1 O12 P4'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.24
_diffrn_ambient_temperature 298.
_citation_title 'Modeling Li-ion conductivity in Li La (P O3)4 powder'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physica B: Condensed Matter (Amsterdam, Netherlands)' 2012 407 2593
2600 PHYBE3
loop_
_citation_author_citation_id
_citation_author_name
primary 'Mounir, F.'
primary 'Karima, H.-N.'
primary 'Khaled, B.S.'
primary 'Mokhtar, F.'
_cell_length_a 16.635(6)
_cell_length_b 7.130(3)
_cell_length_c 9.913(3)
_cell_angle_alpha 90.
_cell_angle_beta 126.37(4)
_cell_angle_gamma 90.
_cell_volume 946.72
_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
La3+ 3
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_U_iso_or_equiv
_atom_site_occupancy
La1 La3+ 4 e 0 0.1969(4) 0.25 0.0069(7) 1.
Li1 Li1+ 4 e 0 0.3006(1) 0.75 0.0136(1) 1.
P1 P5+ 8 f 0.1504(3) 0.1632(3) 0.0968(1) 0.0075(9) 1.
P2 P5+ 8 f 0.3606(2) 0.0597(3) 0.3337(3) 0.0071(4) 1.
O1 O2- 8 f 0.1315(8) 0.1149(3) 0.2217(3) 0.0138(5) 1.
O2 O2- 8 f 0.2568(9) 0.0912(3) 0.1537(3) 0.0110(4) 1.
O3 O2- 8 f 0.0766(4) 0.1060(3) -0.0819(3) 0.0128(5) 1.
O4 O2- 8 f 0.3375(6) -0.1139(3) 0.4074(3) 0.0120(5) 1.
O5 O2- 8 f 0.3846(5) 0.2210(3) 0.4474(3) 0.0133(5) 1.
O6 O2- 8 f 0.43378(1) 0.0069(3) 0.2979(3) 0.0107(5) 1.
#End of TTdata_184917-ICSD