
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_64962-ICSD
_database_code_ICSD 64962
_audit_creation_date 1998-06-26
_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 2.4
_citation_title

;
Petalit, Li Al Si4 O10: Verfeinerung der Kristallstruktur, Diskussion der
Raumgruppe und Infrarot-Messung
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen' 1980
27 129 142 TTMMDZ
loop_
_citation_author_citation_id
_citation_author_name
primary 'Effenberger, H.'
_cell_length_a 11.7540(11)
_cell_length_b 5.1395(5)
_cell_length_c 7.6296(7)
_cell_angle_alpha 90.
_cell_angle_beta 113.04(1)
_cell_angle_gamma 90.
_cell_volume 424.14
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P 1 a 1'
_space_group_IT_number 7
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x+1/2, -y, z'
2 '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 a 0.2456(20) 0.2579(10) 0.9961(27) . 1.
Al1 Al3+ 2 a 0.25 0.75662(12) 0 . 1.
Si1 Si4+ 2 a 0.9986(3) 0.5125(4) 0.2888(4) . 1.
Si2 Si4+ 2 a 0.5023(3) 0.5129(4) 0.7093(4) . 1.
Si3 Si4+ 2 a 0.1484(3) 0.0110(4) 0.2888(4) . 1.
Si4 Si4+ 2 a 0.3528(3) 0.0087(4) 0.7094(4) . 1.
O1 O2- 2 a 0.0056(8) 0.4972(22) 0.5004(9) . 1.
O2 O2- 2 a 0.2519(7) 0.9642(5) 0.4888(8) . 1.
O3 O2- 2 a 0.0967(4) 0.3025(10) 0.2696(7) . 1.
O4 O2- 2 a 0.4095(5) 0.3005(11) 0.7304(8) . 1.
O5 O2- 2 a 0.3633(5) 0.5385(13) 0.1394(7) . 1.
O6 O2- 2 a 0.1394(4) 0.5337(11) 0.8696(6) . 1.
O7 O2- 2 a 0.0395(5) 0.7970(11) 0.2470(8) . 1.
O8 O2- 2 a 0.4334(5) 0.8043(10) 0.7426(8) . 1.
O9 O2- 2 a 0.2074(5) 0.9768(9) 0.1326(7) . 1.
O10 O2- 2 a 0.2925(5) 0.9788(12) 0.8625(7) . 1.
#End of TTdata_64962-ICSD