
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_92708-ICSD
_database_code_ICSD 92708
_audit_creation_date 2003-04-01
_audit_update_record 2015-02-01
_chemical_name_common 'Lithium tecto-alumosilicate - alpha'
_chemical_formula_structural 'Li (Al Si O4)'
_chemical_formula_sum 'Al1 Li1 O4 Si1'
_chemical_name_structure_type LiGaSiO4
_chemical_name_mineral "'Eucryptite alpha'"
_exptl_crystal_density_diffrn 2.63
_citation_title
'Al, Si order in the crystal structure of alpha-eucryptite (Li Al Si O4)'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'American Mineralogist' 2001 86 279 283 AMMIAY
loop_
_citation_author_citation_id
_citation_author_name
primary 'Daniels, P.'
primary 'Fyfe, C.A.'
_cell_length_a 13.532(4)
_cell_length_b 13.532(4)
_cell_length_c 9.044(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1434.22
_cell_formula_units_Z 18
_space_group_name_H-M_alt 'R 3 H'
_space_group_IT_number 146
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x+y, -x, z'
2 '-y, x-y, z'
3 'x, y, z'
4 '-x+y+2/3, -x+1/3, z+1/3'
5 '-y+2/3, x-y+1/3, z+1/3'
6 'x+2/3, y+1/3, z+1/3'
7 '-x+y+1/3, -x+2/3, z+2/3'
8 '-y+1/3, x-y+2/3, z+2/3'
9 'x+1/3, y+2/3, z+2/3'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Si4+ 4
Al3+ 3
Si4+ 4
Al3+ 3
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+ 9 b -0.0172(2) 0.1889(2) 0.2514(4) . 1.
Li2 Li1+ 9 b 0.0208(2) 0.8117(2) 0.7535(4) . 1.
Si1 Si4+ 9 b 0.53003(2) 0.87978(2) 0.74976(2) . 1.
Al1 Al3+ 9 b 0.46967(3) 0.11840(3) 0.25088(3) . 1.
Si2 Si4+ 9 b 0.87557(2) 0.34416(2) 0.91628(2) . 1.
Al2 Al3+ 9 b 0.12492(3) 0.65525(3) 0.08420(3) . 1.
O1 O2- 9 b 0.24713(6) 0.79009(6) 0.10959(9) . 1.
O2 O2- 9 b 0.76554(6) 0.21616(6) 0.89841(8) . 1.
O3 O2- 9 b 0.26720(6) 0.80088(6) 0.40671(7) . 1.
O4 O2- 9 b 0.73246(6) 0.19928(6) 0.57644(7) . 1.
O5 O2- 9 b 0.89552(6) 0.11202(6) 0.06308(8) . 1.
O6 O2- 9 b 0.09633(6) 0.88060(6) 0.94630(8) . 1.
O7 O2- 9 b 0.33574(5) 0.99138(6) 0.25101(9) . 1.
O8 O2- 9 b 0.65458(7) -0.00374(5) 0.74982(9) . 1.
#End of TTdata_92708-ICSD