
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_174007-ICSD
_database_code_ICSD 174007
_audit_creation_date 2010-02-01
_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 2.39
_citation_title 'Die 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' 1955 8 781 787 ACCRA9
loop_
_citation_author_citation_id
_citation_author_name
primary 'Zemann-Hedlik, A.'
primary 'Zemann, J.'
_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 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
Al3+ 3
Li1+ 1
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
Al1 Al3+ 2 e 0.25 0.76 0 0.7 1.
Li1 Li1+ 2 e 0.25 0.28 0 0.7 1.
Si1 Si4+ 4 g 0. 0.5 0.29 0.7 1.
Si2 Si4+ 4 g 0.146 0. 0.29 0.7 1.
O1 O2- 2 b 0 0.5 0.5 0.7 1.
O2 O2- 2 f 0.25 0.98 0.5 0.7 1.
O3 O2- 4 g 0.095 0.294 0.263 0.7 1.
O4 O2- 4 g 0.359 0.53 0.135 0.7 1.
O5 O2- 4 g 0.037 0.8 0.263 0.7 1.
O6 O2- 4 g 0.209 0.97 0.135 0.7 1.
#End of TTdata_174007-ICSD