
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_416879-ICSD
_database_code_ICSD 416879
_audit_creation_date 2007-04-01
_audit_update_record 2008-02-01
_chemical_name_common 'Gadolinium lithium tetrakis(catena-phosphate(V))'
_chemical_formula_structural 'Gd Li (P O3)4'
_chemical_formula_sum 'Gd1 Li1 O12 P4'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.56
_citation_title

;
A series of lithium rare earth polyphosphates [Li Ln (P O3)4] (Ln = La, Eu,
Gd) and their structural, optical, and electronic properties
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'European Journal of Inorganic Chemistry' 2007 2007 285 290 EJICFO
loop_
_citation_author_citation_id
_citation_author_name
primary 'Zhu Jing'
primary 'Cheng Wen Dan'
primary 'Wu Dongsheng'
primary 'Zhang Hao'
primary 'Gong Yajing'
primary 'Tong Huanan'
primary 'Zhao Dan'
_cell_length_a 16.3302(13)
_cell_length_b 7.0327(4)
_cell_length_c 9.6450(8)
_cell_angle_alpha 90.
_cell_angle_beta 126.12(4)
_cell_angle_gamma 90.
_cell_volume 894.77
_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
Gd3+ 3
P5+ 5
O2- -2
Li1+ 1
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
Gd1 Gd3+ 4 e 0.5 0.79790(6) 0.25 0.0059(2) 1
P1 P5+ 8 f 0.36186(12) 0.5536(2) -0.1618(2) 0.0054(4) 1
P2 P5+ 8 f 0.64754(12) 0.8469(2) 0.0971(2) 0.0060(4) 1
O1 O2- 8 f 0.3863(4) 0.7169(6) -0.0456(6) 0.0101(10) 1
O2 O2- 8 f 0.6581(4) 0.6215(7) 0.0822(6) 0.0104(9) 1
O3 O2- 8 f 0.2552(3) 0.5811(7) -0.3436(6) 0.0093(9) 1
O4 O2- 8 f 0.5652(4) 0.4967(7) 0.2020(6) 0.0089(9) 1
O5 O2- 8 f 0.5723(4) 0.9109(7) -0.0833(6) 0.0099(9) 1
O6 O2- 8 f 0.6289(4) 0.8854(7) 0.2278(6) 0.0107(9) 1
Li1 Li1+ 4 e 0.5 0.297(2) 0.25 0.014(4) 1
#End of TTdata_416879-ICSD