Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “As-Cl-Nd-O”

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 Nd5As4(ClO4)3 by Materials Project

Nd5As4(O4Cl)3 is Zircon-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.30–2.63 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.60 Å. There are a spread of Nd–Cl bond distances ranging from 3.09–3.15 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.54 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.78–1.85 Å. In the second As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.88 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one As3+ atom. In the second O2- site, O2- is bonded to three Nd3+ and one As3+ atom to form distorted edge-sharing ONd3As tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one As3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one As3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one As3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one As3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Nd3+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Nd3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd5As2ClO10 by Materials Project

Nd5As2O10Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.58 Å. Both Nd–Cl bond lengths are 3.44 Å. In the second Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Nd–O bond distances ranging from 2.35–2.55 Å. The Nd–Cl bond length is 3.48 Å. In the third Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.55 Å) Nd–O bond lengths. As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.83 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra. In the second O2- site, O2- is bonded to three Nd3+ and one As3+ atom to form a mixture of distorted corner and edge-sharing ONd3As tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+, one As3+, and two equivalent Cl1- atoms. Both O–Cl bond lengths are 3.28 Å. Cl1- is bonded in a 10-coordinate geometry to six Nd3+ and four equivalent O2- atoms.

36 MATERIALS SCIENCE↗