
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_35252-ICSD
_database_code_ICSD 35252
_audit_creation_date 1982-12-31
_chemical_name_common '16-Lithium tetraniobium oxide'
_chemical_formula_structural 'Li16 Nb4 O18'
_chemical_formula_sum 'Li16 Nb4 O18'
_exptl_crystal_density_diffrn 3.53
_citation_title 'Zur Kenntnis von Li16 Nb4 O18'
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)' 1982
493 7 16 ZAACAB
loop_
_citation_author_citation_id
_citation_author_name
primary 'Braun, R.M.'
primary 'Hoppe, R.'
_cell_length_a 15.21
_cell_length_b 8.815
_cell_length_c 5.858
_cell_angle_alpha 109.8
_cell_angle_beta 101.4
_cell_angle_gamma 87.
_cell_volume 724.31
_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
Li1+ 1
Nb5+ 5
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_U_iso_or_equiv
_atom_site_occupancy
Li1 Li1+ 2 i 0.3542(22) 0.8989(34) 0.7628(42) 0.0152(45) 1.
Li2 Li1+ 2 i 0.1499(23) 0.8425(34) 0.1317(43) 0.0206(47) 1.
Li3 Li1+ 2 i 0.3383(23) 0.3346(34) 0.4701(43) 0.0193(46) 1.
Li4 Li1+ 2 i 0.1522(24) 0.4138(37) 0.4214(44) 0.0283(47) 1.
Li5 Li1+ 2 i 0.2625(24) 0.1258(36) 0.0566(44) 0.0197(46) 1.
Li6 Li1+ 2 i 0.2605(25) 0.1233(36) 0.5946(44) 0.0242(47) 1.
Li7 Li1+ 2 i 0.2438(25) 0.6253(37) 0.3004(44) 0.0196(46) 1.
Li8 Li1+ 2 i 0.2377(25) 0.6220(37) 0.8338(45) 0.0266(47) 1.
Li9 Li1+ 2 i 0.0393(24) 0.1268(35) 0.4655(44) 0.0194(46) 1.
Li10 Li1+ 2 i 0.0267(24) 0.1203(36) 0.9404(44) 0.0262(47) 1.
Li11 Li1+ 2 i 0.0544(24) 0.6249(36) 0.2255(44) 0.0198(46) 1.
Li12 Li1+ 2 i 0.0374(25) 0.6294(37) 0.7190(45) 0.0307(48) 1.
Li13 Li1+ 2 i 0.4587(24) 0.1298(35) 0.1681(43) 0.0161(46) 1.
Li14 Li1+ 2 i 0.4505(26) 0.1229(37) 0.6543(45) 0.0356(48) 1.
Li15 Li1+ 2 i 0.4722(23) 0.6216(35) 0.4132(43) 0.0193(47) 1.
Li16 Li1+ 2 i 0.4554(23) 0.6259(35) 0.9343(43) 0.0166(46) 1.
Nb1 Nb5+ 2 i 0.3548(1) 0.8758(2) 0.2481(3) . 1.
Nb2 Nb5+ 2 i 0.1503(1) 0.8736(2) 0.6445(3) . 1.
Nb3 Nb5+ 2 i 0.3565(1) 0.3753(2) 0.9974(3) . 1.
Nb4 Nb5+ 2 i 0.1388(1) 0.3727(2) 0.8826(3) . 1.
O1 O2- 2 i 0.2463(9) 0.8775(16) 0.9452(23) . 1.
O2 O2- 2 i 0.2507(9) 0.8761(15) 0.4449(21) . 1.
O3 O2- 2 i 0.3434(7) 0.6274(11) 0.1112(17) . 1.
O4 O2- 2 i 0.1590(7) 0.1232(14) 0.7640(23) . 1.
O5 O2- 2 i 0.2454(9) 0.3777(17) 0.7167(22) . 1.
O6 O2- 2 i 0.2476(10) 0.3765(16) 0.1817(21) . 1.
O7 O2- 2 i 0.4441(9) 0.8620(16) 0.5079(22) . 1.
O8 O2- 2 i 0.4411(8) 0.8642(14) 0.0361(21) . 1.
O9 O2- 2 i 0.3462(7) 0.1079(13) 0.3544(17) . 1.
O10 O2- 2 i 0.0619(7) 0.8857(13) 0.8356(19) . 1.
O11 O2- 2 i 0.0648(8) 0.8842(13) 0.3578(19) . 1.
O12 O2- 2 i 0.1588(8) 0.6465(13) 0.5278(22) . 1.
O13 O2- 2 i 0.4374(8) 0.3876(14) 0.7891(22) . 1.
O14 O2- 2 i 0.4447(9) 0.3883(14) 0.2844(23) . 1.
O15 O2- 2 i 0.3575(7) 0.1430(12) 0.8762(17) . 1.
O16 O2- 2 i 0.0616(8) 0.3555(15) 0.0744(20) . 1.
O17 O2- 2 i 0.0580(8) 0.3644(15) 0.5861(20) . 1.
O18 O2- 2 i 0.1420(8) 0.6019(15) 0.9999(23) . 1.
#End of TTdata_35252-ICSD