
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_73124-ICSD
_database_code_ICSD 73124
_audit_creation_date 1994-06-30
_chemical_name_common 'Potassium tetralithium niobate'
_chemical_formula_structural 'K Li4 (Nb O5)'
_chemical_formula_sum 'K1 Li4 Nb1 O5'
_exptl_crystal_density_diffrn 3.33
_citation_title
"Das erste Diniobat mit 'isolierten' Anionen: KLi4(NbO5)= K2Li8(Nb2O10)"
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)' 1993
619 149 157 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Wehrum, G.'
primary 'Hoppe, R.'
_cell_length_a 8.169(2)
_cell_length_b 5.922(2)
_cell_length_c 5.897(2)
_cell_angle_alpha 121.00(2)
_cell_angle_beta 91.78(2)
_cell_angle_gamma 99.23(2)
_cell_volume 239.18
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P -1'
_space_group_IT_number 2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, -y, -z'
2 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Nb5+ 5
K1+ 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
Nb1 Nb5+ 2 i 0.1958 0.1466(1) 0.2011(1) . 1.
K1 K1+ 2 i 0.4127(1) 0.6101(2) 0.8551(2) . 1.
Li1 Li1+ 2 i 0.8913(10) 0.9086(16) 0.3106(16) . 1.
Li2 Li1+ 2 i 0.9115(10) 0.3968(16) 0.7934(15) . 1.
Li3 Li1+ 2 i 0.6099(10) 0.1186(15) 0.4477(16) . 1.
Li4 Li1+ 2 i 0.1207(10) 0.6556(16) 0.6578(16) . 1.
O1 O2- 2 i 0.3590(4) 0.0687(6) 0.3628(6) . 1.
O2 O2- 2 i 0.0529(4) 0.2607(6) 0.5034(6) . 1.
O3 O2- 2 i 0.9728(4) 0.2185(6) 0.9875(6) . 1.
O4 O2- 2 i 0.7182(4) 0.9763(6) 0.1354(6) . 1.
O5 O2- 2 i 0.7212(4) 0.4813(6) 0.6650(6) . 1.
#End of TTdata_73124-ICSD