
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_74860-ICSD
_database_code_ICSD 74860
_audit_creation_date 1995-10-17
_chemical_name_common 'Lithium aluminium catena-phosphate'
_chemical_formula_structural 'Li Al (P O3)4'
_chemical_formula_sum 'Al1 Li1 O12 P4'
_exptl_crystal_density_diffrn 2.54
_citation_title 'Synthese und Kristallstruktur von LiAl((P2O6)2)'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Anorganische und Allgemeine Chemie (1950) (DE)' 1994
620 1409 1412 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Bruehne, B.'
primary 'Jansen, M.'
_cell_length_a 12.4454(1)
_cell_length_b 8.2340(1)
_cell_length_c 8.9246(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 914.55
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P b c n'
_space_group_IT_number 60
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 '-x+1/2, y+1/2, z'
3 'x+1/2, y+1/2, -z+1/2'
4 '-x, -y, -z'
5 '-x, y, -z+1/2'
6 'x+1/2, -y+1/2, -z'
7 '-x+1/2, -y+1/2, z+1/2'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 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_B_iso_or_equiv
_atom_site_occupancy
Al1 Al3+ 4 c 0.5 0.1324(1) 0.25 . 1.
Li1 Li1+ 4 c 0.5 0.4972(9) 0.25 . 1.
P1 P5+ 8 d 0.64866(5) 0.96352(8) 0.48834(7) . 1.
P2 P5+ 8 d 0.36081(5) 0.31749(8) 0.00584(8) . 1.
O1 O2- 8 d 0.5671(2) -0.0286(2) 0.3656(2) . 1.
O2 O2- 8 d 0.4377(1) 0.3015(2) 0.1353(2) . 1.
O3 O2- 8 d 0.3796(1) 0.1342(2) 0.3773(2) . 1.
O4 O2- 8 d 0.6801(1) 0.1413(2) 0.5396(2) . 1.
O5 O2- 8 d 0.3951(2) 0.4079(3) 0.8732(2) . 1.
O6 O2- 8 d 0.7558(2) 0.8951(2) 0.4196(2) . 1.
#End of TTdata_74860-ICSD