
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_1485-ICSD
_database_code_ICSD 1485
_audit_creation_date 1980-01-01
_audit_update_record 2012-08-01
_chemical_name_common 'Dilithium tellurate'
_chemical_formula_structural 'Li2 (Te O4)'
_chemical_formula_sum 'Li2 O4 Te1'
_chemical_name_structure_type Zn2TiO4
_exptl_crystal_density_diffrn 4.51
_citation_title

;
Etude structurale de Li2 Te O4. Coordination du tellure VI et du lithium par
les atomes d'oxygene
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 1977 22 113 119 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Daniel, F.'
primary 'Moret, J.'
primary 'Philippot, E.'
primary 'Maurin, M.'
_cell_length_a 6.045(3)
_cell_length_b 6.045(3)
_cell_length_c 8.290(2)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 302.93
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P 41 2 2'
_space_group_IT_number 91
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'y, x, -z+3/4'
2 '-y, -x, -z+1/4'
3 'x, -y, -z+1/2'
4 '-x, y, -z'
5 'y, -x, z+3/4'
6 '-y, x, z+1/4'
7 '-x, -y, z+1/2'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Te6+ 6
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
Te1 Te6+ 4 a 0 0.2686(2) 0 . 1.
O1 O2- 8 d 0.225(2) 0.018(2) -0.019(1) . 1.
O2 O2- 8 d 0.232(2) 0.463(2) 0.066(1) . 1.
Li1 Li1+ 4 b 0.5 0.26(1) 0 6.2 1.
Li2 Li1+ 4 c 0.24(1) 0.24(1) 0.375 1.9 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
Te1 Te6+ 0.0052(7) 0.0032(8) 0.0056(8) 0 0.0020(5) 0
O1 O2- 0.006(4) 0.013(5) 0.017(3) 0.008(5) -0.003(5) 0.002(7)
O2 O2- 0.006(5) 0.010(5) 0.011(2) -0.006(4) -0.001(5) -0.003(5)
#End of TTdata_1485-ICSD