Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “WF6”

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.

12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on WF6 by Materials Project

WF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tungsten hexafluoride molecules. W6+ is bonded in an octahedral geometry to six F1- atoms. All W–F bond lengths are 1.88 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaWF5 by Materials Project

CaWF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to seven F1- atoms to form CaF7 pentagonal bipyramids that share corners with four WF6 octahedra, edges with two WF6 octahedra, and edges with two equivalent CaF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–39°. There are a spread of Ca–F bond distances ranging from 2.20–2.57 Å. In the second Ca2+ site, Ca2+ is bonded to seven F1- atoms to form CaF7 pentagonal bipyramids that share corners with four WF6 octahedra, edges with two WF6 octahedra, and edges with two equivalent CaF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 2–39°. There are a spread of Ca–F bond distances ranging from 2.20–2.58 Å. There are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six F1- atoms to form WF6 octahedra that share corners with two equivalent WF6 octahedra, corners with four CaF7 pentagonal bipyramids, and edges with two CaF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of W–F bond distances ranging from 2.09–2.14 Å. In the second W3+ site, W3+ is bonded to six F1- atoms to form WF6 octahedra that share corners with two equivalent WF6 octahedra, corners with four CaF7 pentagonal bipyramids, and edges with two CaF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of W–F bond distances ranging from 2.09–2.14 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Ca2+ and two W3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Ca2+ and two W3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to one Ca2+ and one W3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Ca2+ and one W3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to two Ca2+ and one W3+ atom. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two Ca2+ and one W3+ atom. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to two Ca2+ and one W3+ atom. In the eighth F1- site, F1- is bonded in a distorted trigonal planar geometry to two Ca2+ and one W3+ atom. In the ninth F1- site, F1- is bonded in a linear geometry to one Ca2+ and one W3+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one Ca2+ and one W3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaWF5 by Materials Project

CaWF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded to seven F1- atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent WF6 octahedra, edges with two equivalent WF6 octahedra, and edges with two equivalent CaF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–47°. There are a spread of Ca–F bond distances ranging from 2.21–2.55 Å. W3+ is bonded to six F1- atoms to form WF6 octahedra that share corners with two equivalent WF6 octahedra, corners with four equivalent CaF7 pentagonal bipyramids, and edges with two equivalent CaF7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of W–F bond distances ranging from 2.08–2.14 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one W3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one W3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one W3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Ca2+ and one W3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two equivalent W3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3WF6 by Materials Project

K3WF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent WF6 octahedra. All K–F bond lengths are 3.27 Å. In the second K1+ site, K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent WF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.51 Å. W3+ is bonded to six equivalent F1- atoms to form WF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to five K1+ and one W3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YWF5 by Materials Project

YWF5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded to six F1- atoms to form YF6 octahedra that share corners with two equivalent YF6 octahedra and corners with six equivalent WF6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are a spread of Y–F bond distances ranging from 2.16–2.22 Å. W2+ is bonded to six F1- atoms to form distorted WF6 octahedra that share corners with six equivalent YF6 octahedra and edges with two equivalent WF6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are two shorter (2.14 Å) and four longer (2.51 Å) W–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent W2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Y3+ and one W2+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent W2+ atoms. The F–Y bond length is 2.22 Å. Both F–W bond lengths are 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WF5 by Materials Project

WF5 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one WF5 ribbon oriented in the (1, 0, 1) direction. there are two inequivalent W5+ sites. In the first W5+ site, W5+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of W–F bond distances ranging from 1.89–2.06 Å. In the second W5+ site, W5+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of W–F bond distances ranging from 1.89–2.06 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two W5+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two W5+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaWF6 by Materials Project

CaWF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent WF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Ca–F bond lengths are 2.28 Å. W4+ is bonded to six equivalent F1- atoms to form WF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All W–F bond lengths are 2.02 Å. F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one W4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgWF6 by Materials Project

MgWF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent WF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All Mg–F bond lengths are 2.01 Å. W4+ is bonded to six equivalent F1- atoms to form WF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All W–F bond lengths are 2.02 Å. F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one W4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnWF5 by Materials Project

WZnF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are four shorter (2.11 Å) and two longer (2.14 Å) W–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.92–2.51 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent W3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one W3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one W3+ and one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnWF5 by Materials Project

WZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of W–F bond distances ranging from 2.11–2.13 Å. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.93–2.55 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one W3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one W3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one W3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one W3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent W3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WF5 by Materials Project

WF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two WF5 ribbons oriented in the (0, 0, 1) direction. W5+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of W–F bond distances ranging from 1.88–2.06 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent W5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W(NF2)3 by Materials Project

(WF6)2(N2)3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four tungsten hexafluoride molecules.

36 MATERIALS SCIENCE↗