Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cs-F-O-Sb”

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 Cs2Sb2OF10 by Materials Project

Cs2Sb2OF10 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 2.99–3.44 Å. Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 48°. The Sb–O bond length is 1.96 Å. There is four shorter (1.93 Å) and one longer (1.94 Å) Sb–F bond length. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsSbOF4 by Materials Project

CsSbOF4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to one O2- and eight F1- atoms. The Cs–O bond length is 3.35 Å. There are a spread of Cs–F bond distances ranging from 3.17–3.42 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 3.18–3.27 Å. In the third Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. Both Cs–O bond lengths are 3.21 Å. There are a spread of Cs–F bond distances ranging from 3.14–3.36 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to two O2- and four F1- atoms to form corner-sharing SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There is one shorter (1.95 Å) and one longer (1.96 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.94–1.96 Å. In the second Sb5+ site, Sb5+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing SbO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Sb–O bond lengths are 1.96 Å. There are a spread of Sb–F bond distances ranging from 1.94–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent Sb5+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗