
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_65260-ICSD
_database_code_ICSD 65260
_audit_creation_date 1989-12-04
_chemical_name_common 'Potassium tetralithium tetraoxoaluminate'
_chemical_formula_structural 'K Li4 (Al O4)'
_chemical_formula_sum 'Al1 K1 Li4 O4'
_exptl_crystal_density_diffrn 2.36
_citation_title 'Ein Oxid Neuen Typs: K Li4 (Al O4)'
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)' 1988
559 17 26 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Grebe, J.J.'
primary 'Stoll, H.'
primary 'Hoppe, R.'
_cell_length_a 5.544(3)
_cell_length_b 15.441(7)
_cell_length_c 11.033(6)
_cell_angle_alpha 90.
_cell_angle_beta 109.71(5)
_cell_angle_gamma 90.
_cell_volume 889.14
_cell_formula_units_Z 8
_space_group_name_H-M_alt 'P 1 21/c 1'
_space_group_IT_number 14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y+1/2, z+1/2'
2 '-x, -y, -z'
3 '-x, y+1/2, -z+1/2'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1
Li1+ 1
Al3+ 3
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
K1 K1+ 4 e 0.9532(2) 0.9280(1) 0.8331(1) . 1.
K2 K1+ 4 e 0.5926(2) 0.2978(1) 0.7272(1) . 1.
Li1 Li1+ 4 e 0.0887(12) 0.8780(4) 0.2711(7) . 1.
Li2 Li1+ 4 e 0.6895(13) 0.4813(5) 0.0771(7) . 1.
Li3 Li1+ 4 e 0.1103(13) 0.7381(5) 0.4759(7) . 1.
Li4 Li1+ 4 e 0.6720(12) 0.3794(5) 0.3721(6) . 1.
Li5 Li1+ 4 e 0.0598(13) 0.5783(5) 0.0421(7) . 1.
Li6 Li1+ 4 e 0.3599(14) 0.4327(5) 0.4790(7) . 1.
Li7 Li1+ 4 e 0.7847(13) 0.8374(5) 0.3728(7) . 1.
Li8 Li1+ 4 e 0.4691(13) 0.3472(5) 0.9927(6) . 1.
Al1 Al3+ 4 e 0.6160(2) 0.9837(1) 0.2964(1) . 1.
Al2 Al3+ 4 e 0.1887(2) 0.2264(1) 0.8811(1) . 1.
O1 O2- 4 e 0.9339(5) 0.7367(2) 0.7884(3) . 1.
O2 O2- 4 e 0.4734(5) 0.7149(2) 0.5502(3) . 1.
O3 O2- 4 e 0.0385(5) 0.1344(2) 0.9222(3) . 1.
O4 O2- 4 e 0.9026(5) 0.8179(2) 0.5496(3) . 1.
O5 O2- 4 e 0.0494(5) 0.4640(2) 0.1398(3) . 1.
O6 O2- 4 e 0.5583(5) 0.0637(2) 0.3971(3) . 1.
O7 O2- 4 e 0.5005(5) 0.0039(2) 0.1326(3) . 1.
O8 O2- 4 e 0.4516(5) 0.8909(2) 0.3242(3) . 1.
#End of TTdata_65260-ICSD