
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_65444-ICSD
_database_code_ICSD 65444
_audit_creation_date 1989-12-04
_chemical_name_common 'Cesium lithium terbium oxide (2/14/3/14)'
_chemical_formula_structural 'Cs2 Li14 Tb3 O14'
_chemical_formula_sum 'Cs2 Li14 O14 Tb3'
_chemical_name_structure_type K2Li14Pb3O4
_exptl_crystal_density_diffrn 4.65
_citation_title

;
Neue Vertreter des K2 Li14 (Pb3 O14) - Typs Cs2 Li14 (Tb3 O14) und K2 Li14
(Zr3 O14)
;
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)' 1989
574 65 78 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Voigt, S.'
primary 'Werthmann, R.'
primary 'Hoppe, R.'
_cell_length_a 12.935(8)
_cell_length_b 7.926(3)
_cell_length_c 7.404(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 759.08
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'I m m m'
_space_group_IT_number 71
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, -z'
2 'x, -y, z'
3 '-x, y, z'
4 '-x, -y, -z'
5 '-x, -y, z'
6 '-x, y, -z'
7 'x, -y, -z'
8 'x, y, z'
9 'x+1/2, y+1/2, -z+1/2'
10 'x+1/2, -y+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 '-x+1/2, -y+1/2, z+1/2'
14 '-x+1/2, y+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
Tb4+ 4
Cs1+ 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_B_iso_or_equiv
_atom_site_occupancy
Tb1 Tb4+ 4 e 0.2693(1) 0 0 . 1.
Tb2 Tb4+ 2 a 0 0 0 . 1.
Cs1 Cs1+ 4 j 0.5 0 0.2699(2) . 1.
Li1 Li1+ 4 h 0.5 0.3516(8) 0 . 1.
Li2 Li1+ 8 n 0.2292(5) 0.3589(6) 0 . 1.
Li3 Li1+ 16 o 0.1379(12) 0.1548(20) 0.2759(22) . 1.
O1 O2- 8 m 0.2552(7) 0 0.7103(15) . 1.
O2 O2- 4 i 0 0 0.2885(18) . 1.
O3 O2- 8 n 0.1291(7) 0.1792(10) 0 . 1.
O4 O2- 8 n 0.3674(6) 0.2154(10) 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
Tb1 Tb4+ 0.0053(3) 0.0085(4) 0.0120(4) 0 0 0
Tb2 Tb4+ 0.0046(5) 0.0089(5) 0.0109(6) 0 0 0
Cs1 Cs1+ 0.0122(5) 0.0231(6) 0.0175(6) 0 0 0
Li1 Li1+ 0.0272(63) 0.0268(61) 0.0176(63) 0 0 0
Li2 Li1+ 0.0169(51) 0.0133(57) 0.0098(55) 0.0046(22) 0 0
Li3 Li1+ 0.0161(47) 0.0293(51) 0.0247(53) 0.0088(48) 0.0056(41) 0.0037(48)
O1 O2- 0.0116(36) 0.026(4) 0.0293(44) 0 0.0016(34) 0
O2 O2- 0.0093(32) 0.0104(42) 0.0193(47) 0 0 0
O3 O2- 0.0065(30) 0.0106(32) 0.0213(36) 0.0038(30) 0 0
O4 O2- 0.0095(30) 0.0116(31) 0.0152(33) 0.0036(30) 0 0
#End of TTdata_65444-ICSD