
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_60768-ICSD
_database_code_ICSD 60768
_audit_creation_date 1988-02-22
_audit_update_record 2012-08-01
_chemical_name_common 'Dirubidium tetradecalithium triterbate(IV)'
_chemical_formula_structural 'Rb2 Li14 (Tb3 O14)'
_chemical_formula_sum 'Li14 O14 Rb2 Tb3'
_chemical_name_structure_type K2Li14Pb3O4
_exptl_crystal_density_diffrn 4.3
_citation_title 'Neue Oxoterbate(IV) mit Lithium Rb2Li14(Tb3O14) und Li6Tb2O7'
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)' 1986
539 127 140 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Wolf, R.'
primary 'Hoppe, R.'
_cell_length_a 12.8307(10)
_cell_length_b 7.9087(7)
_cell_length_c 7.3687(7)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 747.73
_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
Rb1+ 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 0.2716(1) 0 0 . 1.
Tb2 Tb4+ 2 a 0 0 0 . 1.
Rb1 Rb1+ 4 j 0.5 0 0.2707(2) . 1.
Li1 Li1+ 4 h 0.5 0.3474(32) 0 . 1.
Li2 Li1+ 8 n 0.2308(15) 0.3586(21) 0 . 1.
Li3 Li1+ 16 o 0.1385(11) 0.1600(16) 0.2756(16) . 1.
O1 O2- 8 m 0.2542(5) 0 0.7095(11) . 1.
O2 O2- 4 i 0 0 0.2899(13) . 1.
O3 O2- 8 n 0.1292(6) 0.1815(8) 0 . 1.
O4 O2- 8 n 0.3699(5) 0.2140(8) 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+ 0.0107(3) 0.0062(3) 0.0048(3) 0 0 0
Tb2 Tb4+ 0.0111(5) 0.0082(5) 0.0044(5) 0 0 0
Rb1 Rb1+ 0.0249(7) 0.0329(9) 0.0189(8) 0 0 0
Li1 Li1+ 0.0117(64) 0.0215(69) 0.0161(68) 0 0 0
Li2 Li1+ 0.0257(59) 0.0071(55) 0.0198(60) 0 0 0
Li3 Li1+ 0.0266(49) 0.0271(50) 0.0093(45) -0.0107(42) -0.0052(49) 0.0069(50)
O1 O2- 0.0175(32) 0.0130(32) 0.0128(34) 0 0.0021(28) 0
O2 O2- 0.0093(38) 0.0186(43) 0.0058(39) 0 0 0
O3 O2- 0.0143(30) 0.0118(29) 0.0091(28) 0 0 0.0036(29)
O4 O2- 0.0143(29) 0.0106(28) 0.0122(29) 0 0 0.0035(28)
#End of TTdata_60768-ICSD