
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_39211-ICSD
_database_code_ICSD 39211
_audit_creation_date 1990-06-08
_audit_update_record 2015-02-01
_chemical_name_common 'Lithium tantalum germanium oxide'
_chemical_formula_structural 'Li Ta Ge O5'
_chemical_formula_sum 'Ge1 Li1 O5 Ta1'
_chemical_name_structure_type CaMg(AsO4)F
_exptl_crystal_density_diffrn 5.61
_citation_title

;
Synthesis and crystal structure of compounds A+ M5+ Ge O5 (A= Li, Na; M= Nb,
Ta, Sb) and Li Ta Si O5
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary Kristallografiya 1990 35 316 323 KRISAJ
loop_
_citation_author_citation_id
_citation_author_name
primary "Mill', B.V. (Mill, B.V.)"
primary 'Belokoneva, E.L.'
primary 'Butashin, A.V.'
_cell_length_a 7.589(5)
_cell_length_b 8.130(4)
_cell_length_c 7.509(6)
_cell_angle_alpha 90.
_cell_angle_beta 119.55(5)
_cell_angle_gamma 90.
_cell_volume 403.03
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'C 1 2/c 1'
_space_group_IT_number 15
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 '-x, -y, -z'
3 '-x, y, -z+1/2'
4 'x, y, z'
5 'x+1/2, -y+1/2, z+1/2'
6 '-x+1/2, -y+1/2, -z'
7 '-x+1/2, y+1/2, -z+1/2'
8 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Ta5+ 5
Ge4+ 4
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
Li1 Li1+ 4 e 0 0.292 0.75 2.26(44) 1.
Ta1 Ta5+ 4 a 0 0 0 . 1.
Ge1 Ge4+ 4 e 0 0.3603(3) 0.25 . 1.
O1 O2- 8 f 0.1995(17) 0.5023(21) 0.3526(17) 0.76(16) 1.
O2 O2- 8 f 0.0032(19) 0.2366(16) 0.0641(19) 0.84(13) 1.
O3 O2- 4 e 0 0.0688(22) 0.75 0.74(22) 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_B_11
_atom_site_aniso_B_22
_atom_site_aniso_B_33
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_23
Ta1 Ta5+ 0.25(2) 0.34(2) 0.27(2) 0.04(5) 0.08(1) -0.10(5)
Ge1 Ge4+ 0.52(7) 0.23(6) 0.58(7) 0 0.28(6) 0
#End of TTdata_39211-ICSD