Search NASA⌕ Search

SEARCH · Search NASA

Results for “I-Nb-S”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nb3SI7 by Materials Project

Nb3SI7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Nb3SI7 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded to one S2- and five I1- atoms to form a mixture of face and corner-sharing NbSI5 octahedra. The corner-sharing octahedral tilt angles are 50°. The Nb–S bond length is 2.44 Å. There are a spread of Nb–I bond distances ranging from 2.83–3.04 Å. In the second Nb3+ site, Nb3+ is bonded to one S2- and five I1- atoms to form a mixture of face and corner-sharing NbSI5 octahedra. The corner-sharing octahedral tilt angles are 51°. The Nb–S bond length is 2.44 Å. There are a spread of Nb–I bond distances ranging from 2.82–3.04 Å. In the third Nb3+ site, Nb3+ is bonded to one S2- and five I1- atoms to form a mixture of edge and face-sharing NbSI5 octahedra. The Nb–S bond length is 2.43 Å. There are a spread of Nb–I bond distances ranging from 2.84–2.98 Å. S2- is bonded in a 3-coordinate geometry to three Nb3+ atoms. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Nb3+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Nb3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two Nb3+ atoms. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to two Nb3+ atoms. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to three Nb3+ atoms. In the sixth I1- site, I1- is bonded in a distorted bent 120 degrees geometry to two equivalent Nb3+ atoms. In the seventh I1- site, I1- is bonded in a distorted bent 120 degrees geometry to two equivalent Nb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb6SI9 by Materials Project

Nb6SI9 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Nb6SI9 ribbon oriented in the (1, 1, 1) direction. there are six inequivalent Nb sites. In the first Nb site, Nb is bonded to one S and four I atoms to form a mixture of distorted edge and corner-sharing NbSI4 square pyramids. The Nb–S bond length is 2.42 Å. There are one shorter (2.86 Å) and three longer (2.90 Å) Nb–I bond lengths. In the second Nb site, Nb is bonded to one S and four I atoms to form a mixture of distorted edge and corner-sharing NbSI4 square pyramids. The Nb–S bond length is 2.42 Å. There are one shorter (2.85 Å) and three longer (2.90 Å) Nb–I bond lengths. In the third Nb site, Nb is bonded to one S and four I atoms to form a mixture of distorted edge and corner-sharing NbSI4 square pyramids. The Nb–S bond length is 2.61 Å. There are a spread of Nb–I bond distances ranging from 2.87–2.99 Å. In the fourth Nb site, Nb is bonded to one S and four I atoms to form a mixture of distorted edge and corner-sharing NbSI4 square pyramids. The Nb–S bond length is 2.42 Å. There are a spread of Nb–I bond distances ranging from 2.86–2.91 Å. In the fifth Nb site, Nb is bonded to one S and four I atoms to form a mixture of distorted edge and corner-sharing NbSI4 square pyramids. The Nb–S bond length is 2.42 Å. There are a spread of Nb–I bond distances ranging from 2.86–2.90 Å. In the sixth Nb site, Nb is bonded to one S and four I atoms to form a mixture of distorted edge and corner-sharing NbSI4 square pyramids. The Nb–S bond length is 2.60 Å. There are a spread of Nb–I bond distances ranging from 2.87–2.98 Å. S is bonded in a 6-coordinate geometry to six Nb atoms. There are nine inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the second I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the third I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the fourth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the fifth I site, I is bonded in a 2-coordinate geometry to two Nb atoms. In the sixth I site, I is bonded in a 2-coordinate geometry to two Nb atoms. In the seventh I site, I is bonded in an L-shaped geometry to two Nb atoms. In the eighth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the ninth I site, I is bonded in a 3-coordinate geometry to three Nb atoms.

36 MATERIALS SCIENCE↗