
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_202116-ICSD
_database_code_ICSD 202116
_audit_creation_date 1988-12-19
_chemical_name_common 'Sodium lithium germanium oxide (1/3/1/4)'
_chemical_formula_structural 'Na Li3 Ge O4'
_chemical_formula_sum 'Ge1 Li3 Na1 O4'
_chemical_name_structure_type NaLi3SiO4
_exptl_crystal_density_diffrn 3.05
_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 11.070(1)
_cell_length_b 11.070(1)
_cell_length_c 12.808(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 1569.56
_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
Ge4+ 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
Ge1 Ge4+ 16 f 0.5344(1) 0.3230(1) 0.3183(1) . 1.
Na1 Na1+ 16 f 0.2744(4) 0.7373(4) 0.7174(3) . 1.
Li1 Li1+ 16 f 0.162(2) 0.028(2) 0.9391(14) 0.017(4) 1.
Li2 Li1+ 16 f 0.1547(15) 0.521(2) 0.8211(13) 0.011(4) 1.
Li3 Li1+ 16 f 0.1401(15) 0.003(2) 0.6947(13) 0.011(4) 1.
O1 O2- 16 f 0.5603(6) 0.1702(6) 0.8211(5) 0.0088(14) 1.
O2 O2- 16 f 0.3499(6) 0.5495(6) 0.7953(5) 0.0101(15) 1.
O3 O2- 16 f 0.1649(6) 0.9115(6) 0.8252(5) 0.0089(14) 1.
O4 O2- 16 f 0.0804(6) 0.6707(6) 0.8098(5) 0.0089(14) 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ge1 Ge4+ 0.0058(5) 0.0074(5) 0.0028(4) 0.0007(4) 0.0005(4) 0.0028(4)
Na1 Na1+ 0.022(2) 0.018(3) 0.022(2) 0.001(2) 0.004(2) 0.003(2)
#End of TTdata_202116-ICSD