
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_15415-ICSD
_database_code_ICSD 15415
_audit_creation_date 1980-01-01
_audit_update_record 2023-02-01
_chemical_name_common 'Lithium phyllo-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 2.39
_citation_title

;
Untersuchungen an Schichtsilikaten des Formeltyps Am (Si2 O5)n. III. Zur
Kristallstruktur von Petalit, Li Al Si4 O10
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica' 1961 14 399 406 ACCRA9
loop_
_citation_author_citation_id
_citation_author_name
primary 'Liebau, F.'
_cell_length_a 11.76
_cell_length_b 5.14
_cell_length_c 7.62
_cell_angle_alpha 90.
_cell_angle_beta 112.4
_cell_angle_gamma 90.
_cell_volume 425.85
_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
Si4+ 4
O2- -2
Li1+ 1
Al3+ 3
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
Si1 Si4+ 2 a 0.9985 0.519 0.2893 0.4 1.
Si2 Si4+ 2 a 0.5015 0.519 0.7107 0.4 1.
Si3 Si4+ 2 a 0.1467 0.011 0.2893 0.4 1.
Si4 Si4+ 2 a 0.3533 0.011 0.7107 0.4 1.
O1 O2- 2 a 0.0155 0.48 0.5115 1.8 1.
O2 O2- 2 a 0.26 0.975 0.492 1.8 1.
O3 O2- 2 a 0.0902 0.2985 0.2635 1.45 1.
O4 O2- 2 a 0.4098 0.2985 0.7365 1.45 1.
O5 O2- 2 a 0.3603 0.5337 0.1335 1.05 1.
O6 O2- 2 a 0.1397 0.5337 0.8665 1.05 1.
O7 O2- 2 a 0.0403 0.8075 0.2635 1.45 1.
O8 O2- 2 a 0.4597 0.8075 0.7365 1.45 1.
O9 O2- 2 a 0.2057 0.9685 0.1335 1.05 1.
O10 O2- 2 a 0.2943 0.9685 0.8665 1.05 1.
Li1 Li1+ 2 a 0.25 0.26 0 0.55 1.
Al1 Al3+ 2 a 0.25 0.755 0 0.55 1.
#End of TTdata_15415-ICSD