
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_32595-ICSD
_database_code_ICSD 32595
_audit_creation_date 1980-01-01
_audit_update_record 2023-02-01
_chemical_name_common 'Lithium alumosilicate'
_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 2.35
_diffrn_ambient_temperature 293.
_citation_title

;
Temperature dependence of the crystal structure of the one-dimensional Li+
conductor beta eucryptite (Li Al Si O4)
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary

;
Fast Ion Transport in Solids: Elektrodes and Elektrolytes, Proceedings of the
International Conference on Fast Ion Transport in Solids, Electrodes and
Electrolytes, 1979
; 1979 1979 499 502 43GQAH
loop_
_citation_author_citation_id
_citation_author_name
primary 'Guth, H.'
primary 'Heger, G.'
_cell_length_a 10.502(5)
_cell_length_b 10.502(5)
_cell_length_c 11.185(5)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 1068.34
_cell_formula_units_Z 12
_space_group_name_H-M_alt 'P 62 2 2'
_space_group_IT_number 180
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, x-y, -z+1/3'
2 '-x+y, y, -z'
3 '-y, -x, -z+2/3'
4 '-x, -x+y, -z+1/3'
5 'x-y, -y, -z'
6 'y, x, -z+2/3'
7 'x-y, x, z+1/3'
8 'y, -x+y, z+2/3'
9 '-x, -y, z'
10 '-x+y, -x, z+1/3'
11 '-y, x-y, z+2/3'
12 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2
Si4+ 4
Al3+ 3
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_B_iso_or_equiv
_atom_site_occupancy
O1 O2- 12 k 0.1120(3) 0.1985(3) 0.2421(2) . 1.
O2 O2- 12 k 0.0969(3) 0.6983(2) 0.2603(2) . 1.
O3 O2- 12 k 0.6008(3) 0.7073(2) 0.2623(2) . 1.
O4 O2- 12 k 0.6098(2) 0.2010(3) 0.2506(3) . 1.
Si1 Si4+ 6 g 0.2481(4) 0 0 . 1.
Si2 Si4+ 6 i 0.2480(2) 0.4960(4) 0 . 1.
Al1 Al3+ 6 h 0.2510(5) 0 0.5 . 1.
Al2 Al3+ 6 j 0.2517(3) 0.5034(6) 0.5 . 1.
Li1 Li1+ 3 b 0 0 0.5 . 1.
Li2 Li1+ 3 c 0.5 0 0 . 1.
Li3 Li1+ 6 f 0.5 0 0.3271(7) . 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 O2- 0.0164(8) 0.016(1) 0.0176(8) 0.0087(7) -0.0063(6) -0.0018(6)
O2 O2- 0.0150(8) 0.0161(8) 0.0193(8) 0.0067(7) -0.0048(7) 0.0031(8)
O3 O2- 0.0150(9) 0.0180(8) 0.0173(8) 0.0088(7) -0.0055(8) 0.0003(8)
O4 O2- 0.016(1) 0.017(1) 0.0192(9) 0.0083(8) -0.0048(8) 0.0010(5)
Si1 Si4+ 0.012(1) 0.024(2) 0.009(1) 0.0052(7) 0.0005(7) 0.0010(14)
Si2 Si4+ 0.011(1) 0.022(2) 0.012(1) 0.0053(8) -0.0002(1) 0
Al1 Al3+ 0.012(1) 0.024(2) 0.012(1) 0.0062(9) 0.0004(9) 0.0008(18)
Al2 Al3+ 0.012(1) 0.024(2) 0.008(1) 0.0048(8) -0.003(1) 0
Li1 Li1+ 0.018(3) 0.036(6) 0.033(4) 0.015(3) 0 0
Li2 Li1+ 0.020(4) 0.040(8) 0.039(5) 0.009(3) 0 0
Li3 Li1+ 0.017(3) 0.027(4) 0.028(3) 0.009(3) 0 0
#End of TTdata_32595-ICSD