
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_172184-ICSD
_database_code_ICSD 172184
_audit_creation_date 2007-04-01
_chemical_name_common
'Nonalithium trigallium(III) tris[pyrophosphate(V)] diphosphate(V)'
_chemical_formula_structural 'Li9 Ga3 (P2 O7)3 (P O4)2'
_chemical_formula_sum 'Ga3 Li9 O29 P8'
_chemical_name_structure_type Li9Al3(P2O7)3(PO4)2
_exptl_crystal_density_diffrn 2.93
_diffrn_ambient_temperature 295.
_citation_title

;
The layered monodiphosphates Li9 Ga3 (P2 O7)3 (P O4)2 refined from x-ray
powder data
;
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 E: Structure Reports Online' 2006 62
i112 i113 ACSEBH
loop_
_citation_author_citation_id
_citation_author_name
primary 'Liu, X.-X.'
primary 'Wang, C.-X.'
primary 'Luo, S.M.'
primary 'Mi Jinxiao'
_cell_length_a 9.72879(13)
_cell_length_b 9.72879
_cell_length_c 13.5827(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 1113.36
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P -3 c 1'
_space_group_IT_number 165
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x-y, -y, -z+1/2'
2 '-x, -x+y, -z+1/2'
3 'y, x, -z+1/2'
4 'x-y, x, -z'
5 'y, -x+y, -z'
6 '-x, -y, -z'
7 '-x+y, y, z+1/2'
8 'x, x-y, z+1/2'
9 '-y, -x, z+1/2'
10 '-x+y, -x, z'
11 '-y, x-y, z'
12 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
P5+ 5
Ga3+ 3
Li1+ 1
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
P1 P5+ 4 d 0.6667 0.3333 0.6255(5) 0.010(2) 1.
P2 P5+ 12 g 0.3192(4) 0.0886(6) 0.8416(3) 0.0071(11) 1.
Ga1 Ga3+ 6 f 0.5705(3) 0. 0.75 0.0055(6) 1.
Li1 Li1+ 2 b 0. 0. 0. 0.04(2) 1.
Li2 Li1+ 4 d 0.6667 0.3333 0.868(5) 0.09(3) 1.
Li3 Li1+ 12 g 0.328(3) 0.106(4) 0.0589(18) 0.021(8) 1.
O1 O2- 4 d 0.6667 0.3333 0.5125(12) 0.011(5) 1.
O2 O2- 6 f 0.2145(10) 0. 0.75 0.009(3) 1.
O3 O2- 12 g 0.6764(9) 0.1896(9) 0.6630(7) 0.008(3) 1.
O4 O2- 12 g 0.4820(9) 0.1094(8) 0.8310(6) 0.012(3) 1.
O5 O2- 12 g 0.3228(10) 0.2437(10) 0.8431(6) 0.029(2) 1.
O6 O2- 12 g 0.2367(8) 0.9963(12) 0.9331(5) 0.007(2) 1.
#End of TTdata_172184-ICSD