
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_60948-ICSD
_database_code_ICSD 60948
_audit_creation_date 1988-02-22
_audit_update_record 2007-04-01
_chemical_name_common 'Trilithium diindium triphosphate(V)'
_chemical_formula_structural 'Li3 In2 (P3 O12)'
_chemical_formula_sum 'In2 Li3 O12 P3'
_chemical_name_structure_type Li3Fe2(PO4)3(P21/n)
_exptl_crystal_density_diffrn 3.78
_citation_title 'Structure de Li3 In2 P3 O12'
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 C: Crystal Structure Communications'
1987 43 397 399 ACSCEE
loop_
_citation_author_citation_id
_citation_author_name
primary 'Duc Tran Qui'
primary 'Hamdoune, S.'
_cell_length_a 8.592(2)
_cell_length_b 8.908(2)
_cell_length_c 12.290(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.0(2)
_cell_angle_gamma 90.
_cell_volume 940.65
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P 1 21/n 1'
_space_group_IT_number 14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x+1/2, y+1/2, -z+1/2'
2 '-x, -y, -z'
3 'x+1/2, -y+1/2, z+1/2'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
In3+ 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
In1 In3+ 4 e 0.26237(4) 0.52997(4) 0.39832(3) . 1.
In2 In3+ 4 e 0.24124(3) 0.46358(4) 0.89644(3) . 1.
P1 P5+ 4 e 0.38452(14) 0.60990(14) 0.65378(10) . 1.
P2 P5+ 4 e 0.11001(13) 0.37919(14) 0.15694(10) . 1.
P3 P5+ 4 e 0.04660(13) 0.25203(14) 0.50844(10) . 1.
O1 O2- 4 e 0.1281(4) 0.4023(4) 0.0362(3) . 1.
O2 O2- 4 e 0.0910(4) 0.3632(4) 0.4175(3) . 1.
O3 O2- 4 e 0.4551(4) 0.3824(4) 0.3982(3) . 1.
O4 O2- 4 e 0.3057(3) 0.6882(4) 0.9398(3) . 1.
O5 O2- 4 e 0.2278(4) 0.4708(4) 0.2225(3) . 1.
O6 O2- 4 e 0.2637(4) 0.5451(4) 0.5720(3) . 1.
O7 O2- 4 e 0.1755(4) 0.2637(4) 0.8075(3) . 1.
O8 O2- 4 e 0.3840(4) 0.4967(3) 0.7502(3) . 1.
O9 O2- 4 e 0.4568(4) 0.3714(4) 0.9482(3) . 1.
O10 O2- 4 e 0.0513(4) 0.6700(4) 0.4027(3) . 1.
O11 O2- 4 e 0.0588(4) 0.5780(4) 0.8069(3) . 1.
O12 O2- 4 e 0.3813(4) 0.7085(4) 0.3194(3) . 1.
Li1 Li1+ 4 e 0.4122(10) 0.5875(10) 0.1840(7) 0.0181(20) 1.
Li2 Li1+ 4 e 0.0662(9) 0.5106(10) 0.6525(7) 0.0161(19) 1.
Li3 Li1+ 4 e 0.3224(10) 0.2866(11) 0.6778(8) 0.0211(21) 1.
#End of TTdata_60948-ICSD