
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_67535-ICSD
_database_code_ICSD 67535
_audit_creation_date 1993-08-22
_audit_update_record 2010-08-01
_chemical_name_common 'Lithium boron germanate'
_chemical_formula_structural 'Li B (Ge O4)'
_chemical_formula_sum 'B1 Ge1 Li1 O4'
_chemical_name_structure_type LiBGeO4
_exptl_crystal_density_diffrn 3.67
_citation_title

;
Hydrothermal syntheses and stuctural refinements of single crystal Li B Ge O4
and Li B Si O4
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Chemistry of Materials' 1992 4 1065 1067 CMATEX
loop_
_citation_author_citation_id
_citation_author_name
primary 'Parise, J.B.'
primary 'Gier, T.E.'
_cell_length_a 4.5016(3)
_cell_length_b 4.5016(3)
_cell_length_c 6.901(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 139.84
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'I -4'
_space_group_IT_number 82
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+1/2, x+1/2, -z+1/2'
6 'y+1/2, -x+1/2, -z+1/2'
7 '-x+1/2, -y+1/2, z+1/2'
8 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ge4+ 4
O2- -2
B3+ 3
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
Ge1 Ge4+ 2 a 0 0 0 . 1.
O1 O2- 8 g 0.1691(3) 0.2856(2) 0.1321(2) . 1.
B1 B3+ 2 c 0 0.5 0.25 . 1.
Li1 Li1+ 2 b 0.5 0.5 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
Ge1 Ge4+ 0.0042(2) 0.0042(2) 0.0045(2) 0 0 0
O1 O2- 0.0060(4) 0.0070(4) 0.0073(4) -0.0004(3) 0.0009(3) -0.0025(3)
B1 B3+ 0.0057(6) 0.0057(6) 0.0059(10) 0 0 0
Li1 Li1+ 0.011(1) 0.011(1) 0.020(2) 0 0 0
#End of TTdata_67535-ICSD