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data_421741-ICSD
_database_code_ICSD 421741
_audit_creation_date 2012-08-01
_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 3.41
_diffrn_ambient_temperature 298.
_citation_title 'Synthesis and crystal structure of Li La P4 O12'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'X-Ray Structure Analysis Online' 2011 27 21 22 XSAOBG
loop_
_citation_author_citation_id
_citation_author_name
primary 'Boujelbene, M.'
primary 'Mhiri, T.'
_cell_length_a 16.355(5)
_cell_length_b 7.040(5)
_cell_length_c 9.678(5)
_cell_angle_alpha 90
_cell_angle_beta 126.137(5)
_cell_angle_gamma 90
_cell_volume 899.93
_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. 0.29893(2) 0.25 0.0055 1.
Li1 Li1+ 4 e 0. -0.2045(11) 0.25 0.0185 1.
P1 P5+ 8 f -0.13839(4) 0.05521(9) -0.16270(7) 0.0092 1.
P2 P5+ 8 f 0.14820(4) 0.65541(9) 0.59673(7) 0.0093 1.
O1 O2- 8 f -0.11425(17) 0.2184(3) -0.0475(3) 0.0144 1.
O2 O2- 8 f -0.24408(14) 0.0832(3) -0.3439(2) 0.0135 1.
O3 O2- 8 f 0.06537(14) -0.0042(3) 0.2025(2) 0.0126 1.
O4 O2- 8 f -0.15884(16) -0.1215(3) -0.0849(3) 0.0132 1.
O5 O2- 8 f 0.07310(15) 0.5927(3) 0.4163(2) 0.0141 1.
O6 O2- 8 f 0.12972(16) 0.3853(3) 0.2263(3) 0.0145 1.
#End of TTdata_421741-ICSD