
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_79098-ICSD
_database_code_ICSD 79098
_audit_creation_date 1996-04-22
_chemical_name_common 'Cesium trisodium dodecalithium tetrakisgermanate'
_chemical_formula_structural 'Cs Na3 Li12 (Ge O4)4'
_chemical_formula_sum 'Cs1 Ge4 Li12 Na3 O16'
_chemical_name_structure_type CsKNa2Li8(LiSiO4)4
_exptl_crystal_density_diffrn 3.37
_citation_title
'Das erste Oxogermanat mit "Stuffed Pyrgoms": Cs Na3 Li8 (Li (Ge O4))4'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Anorganische und Allgemeine Chemie (1950) (DE)' 1995
621 713 718 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Brandes, R.'
primary 'Hoppe, R.'
_cell_length_a 11.2073(5)
_cell_length_b 11.2073(5)
_cell_length_c 6.5164(5)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 818.48
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'I 4/m'
_space_group_IT_number 87
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-y, x, -z'
2 'y, -x, -z'
3 'x, y, -z'
4 '-x, -y, -z'
5 'y, -x, z'
6 '-y, x, z'
7 '-x, -y, z'
8 'x, y, z'
9 '-y+1/2, x+1/2, -z+1/2'
10 'y+1/2, -x+1/2, -z+1/2'
11 'x+1/2, y+1/2, -z+1/2'
12 '-x+1/2, -y+1/2, -z+1/2'
13 'y+1/2, -x+1/2, z+1/2'
14 '-y+1/2, x+1/2, z+1/2'
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
Cs1+ 1
Ge4+ 4
Na1+ 1
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_B_iso_or_equiv
_atom_site_occupancy
Cs1 Cs1+ 2 a 0 0 0 . 1.
Ge1 Ge4+ 8 h 0.2190(1) 0.4195(1) 0 . 1.
Na1 Na1+ 2 b 0 0 0.5 . 1.
Na2 Na1+ 4 d 0.5 0 0.25 . 1.
O1 O2- 8 h 0.4335(2) 0.1619(2) 0 . 1.
O2 O2- 8 h 0.9019(2) 0.6795(2) 0 . 1.
O3 O2- 16 i 0.9019(2) 0.1948(2) 0.2766(3) . 1.
Li1 Li1+ 16 i 0.7359(4) 0.3942(4) 0.7550(6) . 1.
Li2 Li1+ 8 h 0.7182(5) 0.9198(5) 0 . 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
Cs1 Cs1+ 0.0118(14) 0.0118(14) 0.0146(2) 0 0 0
Ge1 Ge4+ 0.0054(2) 0.0059(2) 0.0102(2) -0.0002(1) 0 0
Na1 Na1+ 0.0316(12) 0.0316(12) 0.0304(18) 0 0 0
Na2 Na1+ 0.0172(6) 0.0172(6) 0.0221(10) 0 0 0
O1 O2- 0.0086(11) 0.0129(11) 0.0133(11) 0.0043(9) 0 0
O2 O2- 0.0110(11) 0.0165(12) 0.0136(11) 0.0063(9) 0 0
O3 O2- 0.0144(9) 0.0151(9) 0.0149(8) 0.0047(7) 0.0024(6) 0.0072(6)
Li1 Li1+ 0.013(3) 0.0125(29) 0.0081(29) 0.0071(18) 0.0006(17) 0.0024(17)
Li2 Li1+ 0.0097(28) 0.0087(27) 0.012(3) 0.0117(22) 0 0
#End of TTdata_79098-ICSD