
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_162784-ICSD
_database_code_ICSD 162784
_audit_creation_date 2009-08-01
_audit_update_record 2011-02-01
_chemical_name_common 'Lithium yttrium tetrakis(phosphate(V))'
_chemical_formula_structural 'Li Y (P O3)4'
_chemical_formula_sum 'Li1 O12 P4 Y1'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.11
_diffrn_ambient_temperature 293.
_citation_title

;
Syntheses, crystal structures and characterizations of Li M (P O3)4 (M= Y, Dy)
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Molecular Structure' 2008 892 8 12 JMOSB4
loop_
_citation_author_citation_id
_citation_author_name
primary 'Zhao Dan'
primary 'Zhang Hao'
primary 'Huang Shu Ping'
primary 'Fang Ming'
primary 'Zhang Wei Long'
primary 'Yang Song Ling'
primary 'Cheng Wen Dan'
_cell_length_a 16.236(5)
_cell_length_b 7.0183(16)
_cell_length_c 9.548(3)
_cell_angle_alpha 90.
_cell_angle_beta 125.98(3)
_cell_angle_gamma 90.
_cell_volume 880.42
_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
Li1+ 1
Y3+ 3
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
Li1 Li1+ 4 e 0.5 0.2943(8) 0.25 0.0122(12) 1.
Y1 Y3+ 4 e 0 0.29695(4) 0.25 0.00499(14) 1.
P1 P5+ 8 f 0.36249(4) 0.44829(8) 0.34045(7) 0.00486(16) 1.
P2 P5+ 8 f 0.14647(4) 0.34979(8) 0.09709(7) 0.00483(16) 1.
O1 O2- 8 f 0.38703(14) 0.2847(2) 0.4574(2) 0.0096(4) 1.
O2 O2- 8 f 0.15711(13) 0.1258(2) 0.0795(2) 0.0084(3) 1.
O3 O2- 8 f 0.25535(12) 0.4217(2) 0.15812(19) 0.0085(3) 1.
O4 O2- 8 f 0.12780(13) 0.3840(2) 0.2296(2) 0.0094(3) 1.
O5 O2- 8 f 0.43489(12) 0.4976(2) 0.2975(2) 0.0082(3) 1.
O6 O2- 8 f 0.07078(12) 0.4159(2) -0.08350(19) 0.0086(3) 1.
#End of TTdata_162784-ICSD