
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_202115-ICSD
_database_code_ICSD 202115
_audit_creation_date 1988-12-19
_audit_update_record 2015-02-01
_chemical_name_common 'Sodium trilithium silicate'
_chemical_formula_structural 'Na Li3 (Si O4)'
_chemical_formula_sum 'Li3 Na1 O4 Si1'
_chemical_name_structure_type NaLi3SiO4
_exptl_crystal_density_diffrn 2.46
_citation_title

;
Neues ueber Oxide vom Typ A (T O)n: Na Li3 Si O4, Na Li3 Ge O4 und Na Li3 Ti
O4
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Revue de Chimie Minerale' 1986 23 217 230 RVCMA8
loop_
_citation_author_citation_id
_citation_author_name
primary 'Nowitzki, B.'
primary 'Hoppe, R.'
_cell_length_a 10.784(1)
_cell_length_b 10.784(1)
_cell_length_c 12.633(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 1469.15
_cell_formula_units_Z 16
_space_group_name_H-M_alt 'I 41/a S'
_space_group_IT_number 88
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'y, -x+1/2, z+1/4'
2 '-y, x+1/2, z+1/4'
3 'y, -x, -z'
4 '-y, x, -z'
5 '-x, -y+1/2, -z+1/4'
6 'x, y+1/2, -z+1/4'
7 '-x, -y, z'
8 'x, y, z'
9 'y+1/2, -x, z+3/4'
10 '-y+1/2, x, z+3/4'
11 'y+1/2, -x+1/2, -z+1/2'
12 '-y+1/2, x+1/2, -z+1/2'
13 '-x+1/2, -y, -z+3/4'
14 'x+1/2, y, -z+3/4'
15 '-x+1/2, -y+1/2, z+1/2'
16 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4
Na1+ 1
Li1+ 1
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_U_iso_or_equiv
_atom_site_occupancy
Si1 Si4+ 16 f 0.4615(2) 0.3187(2) 0.3196(1) . 1.
Na1 Na1+ 16 f 0.2785(3) 0.2642(3) 0.7194(2) . 1.
Li1 Li1+ 16 f 0.158(1) 0.9693 0.9390(9) . 1.
Li2 Li1+ 16 f 0.15666(10) 0.479(1) 0.8193(9) 0.011(2) 1.
Li3 Li1+ 16 f 0.1339(11) 0.0020(11) 0.6972(8) . 1.
O1 O2- 16 f 0.4493(4) 0.1730(4) 0.8274(3) . 1.
O2 O2- 16 f 0.3523(4) 0.4625(4) 0.7874(3) . 1.
O3 O2- 16 f 0.1620(4) 0.0971(4) 0.8288(3) . 1.
O4 O2- 16 f 0.9189(4) 0.6739(4) 0.8082(3) . 1.
#End of TTdata_202115-ICSD