
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_24888-ICSD
_database_code_ICSD 24888
_audit_creation_date 1980-01-01
_audit_update_record 2023-02-01
_chemical_name_common 'Lithium aluminium silicate'
_chemical_formula_structural 'Li Al (Si O4)'
_chemical_formula_sum 'Al1 Li1 O4 Si1'
_chemical_name_structure_type LiAlSiO4
_chemical_name_mineral "'Eucryptite beta'"
_exptl_crystal_density_diffrn 2.36
_citation_title 'Synthesis and x-ray reflection pattern of beta-eucryptite'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary Naturwissenschaften 1970 57 194 194 NATWAY
loop_
_citation_author_citation_id
_citation_author_name
primary 'Tscherry, V.'
primary 'Schulz, H.'
_cell_length_a 10.4918(6)
_cell_length_b 10.4918(6)
_cell_length_c 11.1749
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 1065.31
_cell_formula_units_Z 12
_space_group_name_H-M_alt 'P 64 2 2'
_space_group_IT_number 181
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, x-y, -z+2/3'
2 '-x+y, y, -z'
3 '-y, -x, -z+1/3'
4 '-x, -x+y, -z+2/3'
5 'x-y, -y, -z'
6 'y, x, -z+1/3'
7 'x-y, x, z+2/3'
8 'y, -x+y, z+1/3'
9 '-x, -y, z'
10 '-x+y, -x, z+2/3'
11 '-y, x-y, z+1/3'
12 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Al3+ 3
Si4+ 4
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
Li1 Li1+ 3 c 0.5 0 0 1.6 1.
Li2 Li1+ 3 b 0 0 0.5 1.6 1.
Li3 Li1+ 6 f 0.5 0 0.3333 1.6 1.
Al1 Al3+ 6 h 0.252(1) 0 0.5 0.3 1.
Al2 Al3+ 6 j 0.252(1) 0.504(2) 0.5 0.3 1.
Si1 Si4+ 6 g 0.249(1) 0 0 0.4 1.
Si2 Si4+ 6 i 0.249(1) 0.498(2) 0 0.4 1.
O1 O2- 12 k 0.202(1) 0.087(1) 0.091(1) 0.8 1.
O2 O2- 12 k 0.403(1) 0.097(1) 0.407(1) 0.8 1.
O3 O2- 12 k 0.397(1) 0.107(1) 0.930(1) 0.8 1.
O4 O2- 12 k 0.593(1) 0.203(1) 0.250(1) 0.8 1.
#End of TTdata_24888-ICSD