
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_31283-ICSD
_database_code_ICSD 31283
_audit_creation_date 1982-12-31
_audit_update_record 2023-02-01
_chemical_name_common 'Lithium tecto-alumotetrasilicate'
_chemical_formula_structural 'Li (Al Si4 O10)'
_chemical_formula_sum 'Al1 Li1 O10 Si4'
_chemical_name_structure_type LiAlSi4O10
_chemical_name_mineral Petalite
_exptl_crystal_density_diffrn 2.38
_citation_title

;
Kristallographische Untersuchungen eines Petalits mittels Neutronenbeugung und
Transmissionselektronenmikroskopie
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Kristallographie' 1982 160 159 170 ZEKRDZ
loop_
_citation_author_citation_id
_citation_author_name
primary 'Tagai, T.'
primary 'Ried, H.'
primary 'Joswig, W.'
primary 'Korekawa, M.'
_cell_length_a 11.737
_cell_length_b 5.171
_cell_length_c 7.63
_cell_angle_alpha 90.
_cell_angle_beta 112.54
_cell_angle_gamma 90.
_cell_volume 427.71
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P 1 2/a 1'
_space_group_IT_number 13
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x+1/2, -y, z'
2 '-x, -y, -z'
3 '-x+1/2, y, -z'
4 '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+ 2 e 0.25 0.2553(12) 0 . 1.
Al1 Al3+ 2 e 0.25 0.7564(5) 0 . 1.
Si1 Si4+ 4 g 0.9980(1) 0.5128(3) 0.2896(2) . 1.
Si2 Si4+ 4 g 0.1477(1) 0.0099(1) 0.2896(2) . 1.
O1 O2- 2 b 0 0.5 0.5 . 1.
O2 O2- 2 f 0.25 0.9654(4) 0.5 . 1.
O3 O2- 4 g 0.0938(1) 0.3012(3) 0.2704(2) . 1.
O4 O2- 4 g 0.3617(1) 0.5358(3) 0.1342(2) . 1.
O5 O2- 4 g 0.0381(1) 0.8011(3) 0.2518(2) . 1.
O6 O2- 4 g 0.2076(1) 0.9779(3) 0.1353(2) . 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
Li1 Li1+ 0.026(4) 0.009(2) 0.022(4) 0 0.007(3) 0
Al1 Al3+ 0.008(1) 0.009(1) 0.010(2) 0 0.0018(9) 0
Si1 Si4+ 0.0104(8) 0.0083(8) 0.0057(8) -0.0020(6) 0.0030(5) -0.0010(6)
Si2 Si4+ 0.0094(8) 0.0076(8) 0.0080(8) -0.0014(6) 0.0038(6) -0.0017(6)
O1 O2- 0.0290(9) 0.0349(9) 0.0105(7) -0.0009(9) 0.0112(7) -0.0010(9)
O2 O2- 0.0199(9) 0.0301(9) 0.0072(7) 0 -0.0028(6) 0
O3 O2- 0.0191(9) 0.0108(6) 0.0253(7) 0.0035(5) 0.0126(5) -0.0003(5)
O4 O2- 0.0118(5) 0.0142(6) 0.0126(5) 0.0029(4) 0.0000(4) 0.0004(4)
O5 O2- 0.0134(6) 0.0106(6) 0.0230(6) -0.0021(4) 0.0052(5) 0.0020(5)
O6 O2- 0.0195(6) 0.0117(5) 0.0130(5) 0.0011(5) -0.0106(4) -0.0010(5)
#End of TTdata_31283-ICSD