
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_40536-ICSD
_database_code_ICSD 40536
_audit_creation_date 1999-11-30
_audit_update_record 2011-02-01
_chemical_name_common 'Lithium niobium oxide germanate'
_chemical_formula_structural 'Li Nb O (Ge O4)'
_chemical_formula_sum 'Ge1 Li1 Nb1 O5'
_chemical_name_structure_type LiNbGeO5
_exptl_crystal_density_diffrn 4.27
_citation_title

;
The crystal structure of Li Nb Ge O5, in comparison with the structures of
maricite Na (Fe, Zn) P O4 and sillimanite Al2 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 1985 30 290 296 KRISAJ
loop_
_citation_author_citation_id
_citation_author_name
primary 'Belokoneva, E.L.'
primary "Mill', B.V. (Mill, B.V.)"
primary 'Butashin, A.V.'
_cell_length_a 7.552(2)
_cell_length_b 7.750(2)
_cell_length_c 6.713(2)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 392.9
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P b n m'
_space_group_IT_number 62
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x+1/2, y+1/2, z'
2 'x, y, -z+1/2'
3 'x+1/2, -y+1/2, z+1/2'
4 '-x, -y, -z'
5 'x+1/2, -y+1/2, -z'
6 '-x, -y, z+1/2'
7 '-x+1/2, y+1/2, -z+1/2'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Nb5+ 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 a 0 0 0 1. 1.
Nb1 Nb5+ 4 c 0.72670(14) 0.16167(13) 0.25 0.16(1) 1.
Ge1 Ge4+ 4 c 0.63282(17) 0.12951(16) 0.75 0.11(1) 1.
O1 O2- 4 c 0.5026(13) 0.6893(12) 0.25 0.36(10) 1.
O2 O2- 4 c 0.0018(13) 0.5551(13) 0.25 0.60(12) 1.
O3 O2- 8 d 0.7671(8) 0.1249(9) 0.5386(9) 0.34(6) 1.
O4 O2- 4 c 0.6643(13) 0.3839(12) 0.25 0.38(10) 1.
#End of TTdata_40536-ICSD