
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_194287-ICSD
_database_code_ICSD 194287
_audit_creation_date 2015-08-01
_chemical_name_common 'Lithium aluminium decaoxotetrasilicate'
_chemical_formula_structural 'Li Al (Si4 O10)'
_chemical_formula_sum 'Al1 Li1 O10 Si4'
_chemical_name_mineral Petalite
_exptl_crystal_density_diffrn 2.44
_diffrn_ambient_temperature 295.
_diffrn_ambient_pressure 890000.
_citation_title 'Petalite under pressure: Elastic behavior and phase stability'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'American Mineralogist' 2015 100 714 721 AMMIAY
loop_
_citation_author_citation_id
_citation_author_name
primary 'Ross, Nancy L.'
primary 'Zhao, Jing'
primary 'Slebodnick, Carla'
primary 'Spencer, Elinor C.'
primary 'Chakoumakos, Bryan C.'
_cell_length_a 11.1705(4)
_cell_length_b 5.0963(4)
_cell_length_c 11.6569(7)
_cell_angle_alpha 90.
_cell_angle_beta 141.1341(18)
_cell_angle_gamma 90.
_cell_volume 416.41
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P 1 2/c 1'
_space_group_IT_number 13
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 '-x, -y, -z'
3 '-x, y, -z+1/2'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4
Al3+ 3
O2- -2
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_U_iso_or_equiv
_atom_site_occupancy
Si1 Si4+ 4 g 0.7895(5) 0.0210(3) 0.7916(2) 0.0085(3) 1
Si2 Si4+ 4 g 0.7900(5) 0.5188(2) 0.6423(2) 0.0088(3) 1
Al1 Al3+ 2 f 0.5 0.2550(4) 0.25 0.0087(5) 1
O1 O2- 4 g 0.6335(12) -0.0325(7) 0.7726(6) 0.0170(9) 1
O2 O2- 4 g 0.7680(11) -0.1838(7) 0.6708(5) 0.0130(8) 1
O3 O2- 2 a 1. 0. 1. 0.0257(15) 1
O4 O2- 4 g 0.7556(11) 0.3165(7) 0.7200(5) 0.0158(9) 1
O5 O2- 2 e 1. 0.4706(12) 0.75 0.0288(16) 1
O6 O2- 4 g 0.6361(12) 0.4774(6) 0.4278(5) 0.0112(7) 1
Li1 Li1+ 2 f 0.5 0.751(3) 0.25 0.021(3) 1
#End of TTdata_194287-ICSD