Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “As-Cs”

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.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cs2As3 by Materials Project

Cs2As3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight As+0.67- atoms. There are four shorter (3.88 Å) and four longer (3.96 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten As+0.67- atoms. There are a spread of Cs–As bond distances ranging from 3.74–3.95 Å. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Cs1+ and two As+0.67- atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Cs1+ and two equivalent As+0.67- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3As by Materials Project

Cs3As crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted bent 120 degrees geometry to two equivalent As3- atoms. There are one shorter (3.83 Å) and one longer (3.85 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted trigonal planar geometry to three equivalent As3- atoms. There are one shorter (3.83 Å) and two longer (3.94 Å) Cs–As bond lengths. In the third Cs1+ site, Cs1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cs–As bond lengths are 3.72 Å. In the fourth Cs1+ site, Cs1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cs–As bond lengths are 3.75 Å. As3- is bonded in a 8-coordinate geometry to eight Cs1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3As7 by Materials Project

Cs3As7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight As+0.43- atoms. There are a spread of Cs–As bond distances ranging from 3.69–3.89 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven As+0.43- atoms. There are a spread of Cs–As bond distances ranging from 3.84–4.29 Å. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to eight As+0.43- atoms. There are a spread of Cs–As bond distances ranging from 3.76–4.19 Å. There are seven inequivalent As+0.43- sites. In the first As+0.43- site, As+0.43- is bonded in a 6-coordinate geometry to three Cs1+ and three As+0.43- atoms. There are a spread of As–As bond distances ranging from 2.40–2.58 Å. In the second As+0.43- site, As+0.43- is bonded to five Cs1+ and two As+0.43- atoms to form distorted AsCs5As2 pentagonal bipyramids that share corners with two equivalent AsCs3As3 octahedra, corners with four equivalent AsCs5As2 pentagonal bipyramids, corners with five equivalent AsCs4As2 pentagonal pyramids, a cornercorner with one AsCs3As2 square pyramid, an edgeedge with one AsCs3As3 octahedra, an edgeedge with one AsCs4As2 pentagonal pyramid, and edges with two equivalent AsCs3As2 square pyramids. The corner-sharing octahedra tilt angles range from 71–143°. The As–As bond length is 2.46 Å. In the third As+0.43- site, As+0.43- is bonded to three Cs1+ and two As+0.43- atoms to form distorted AsCs3As2 square pyramids that share corners with three equivalent AsCs3As3 octahedra, a cornercorner with one AsCs5As2 pentagonal bipyramid, corners with four equivalent AsCs4As2 pentagonal pyramids, an edgeedge with one AsCs3As3 octahedra, edges with two equivalent AsCs5As2 pentagonal bipyramids, an edgeedge with one AsCs4As2 pentagonal pyramid, and an edgeedge with one AsCs3As2 square pyramid. The corner-sharing octahedra tilt angles range from 28–60°. There are one shorter (2.39 Å) and one longer (2.44 Å) As–As bond lengths. In the fourth As+0.43- site, As+0.43- is bonded to three Cs1+ and three As+0.43- atoms to form distorted AsCs3As3 octahedra that share corners with two equivalent AsCs5As2 pentagonal bipyramids, corners with three equivalent AsCs4As2 pentagonal pyramids, corners with three equivalent AsCs3As2 square pyramids, an edgeedge with one AsCs3As3 octahedra, an edgeedge with one AsCs5As2 pentagonal bipyramid, an edgeedge with one AsCs4As2 pentagonal pyramid, and an edgeedge with one AsCs3As2 square pyramid. The As–As bond length is 2.45 Å. In the fifth As+0.43- site, As+0.43- is bonded to four Cs1+ and two As+0.43- atoms to form distorted AsCs4As2 pentagonal pyramids that share corners with three equivalent AsCs3As3 octahedra, corners with five equivalent AsCs5As2 pentagonal bipyramids, corners with two equivalent AsCs4As2 pentagonal pyramids, corners with four equivalent AsCs3As2 square pyramids, an edgeedge with one AsCs3As3 octahedra, an edgeedge with one AsCs5As2 pentagonal bipyramid, and an edgeedge with one AsCs3As2 square pyramid. The corner-sharing octahedra tilt angles range from 55–143°. The As–As bond length is 2.38 Å. In the sixth As+0.43- site, As+0.43- is bonded in a 6-coordinate geometry to three Cs1+ and three As+0.43- atoms. The As–As bond length is 2.54 Å. In the seventh As+0.43- site, As+0.43- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three As+0.43- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3As11 by Materials Project

Cs3As11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten As+0.27- atoms. There are a spread of Cs–As bond distances ranging from 3.85–4.27 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten As+0.27- atoms. There are a spread of Cs–As bond distances ranging from 3.77–4.12 Å. In the third Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight As+0.27- atoms. There are a spread of Cs–As bond distances ranging from 3.71–4.07 Å. There are eleven inequivalent As+0.27- sites. In the first As+0.27- site, As+0.27- is bonded to two Cs1+ and three As+0.27- atoms to form distorted AsCs2As3 square pyramids that share corners with two equivalent AsCs3As3 octahedra, corners with six AsCs3As2 trigonal bipyramids, corners with two equivalent AsCsAs3 trigonal pyramids, and an edgeedge with one AsCs3As2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 35–80°. There are a spread of As–As bond distances ranging from 2.50–2.52 Å. In the second As+0.27- site, As+0.27- is bonded in a 6-coordinate geometry to three Cs1+ and three As+0.27- atoms. There are one shorter (2.43 Å) and one longer (2.48 Å) As–As bond lengths. In the third As+0.27- site, As+0.27- is bonded in a 6-coordinate geometry to three Cs1+ and three As+0.27- atoms. All As–As bond lengths are 2.51 Å. In the fourth As+0.27- site, As+0.27- is bonded to one Cs1+ and three As+0.27- atoms to form AsCsAs3 trigonal pyramids that share a cornercorner with one AsCs3As3 octahedra, corners with two equivalent AsCs2As3 square pyramids, and corners with four AsCs3As2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 78°. There are one shorter (2.42 Å) and one longer (2.48 Å) As–As bond lengths. In the fifth As+0.27- site, As+0.27- is bonded to three Cs1+ and two As+0.27- atoms to form distorted AsCs3As2 trigonal bipyramids that share corners with four equivalent AsCs3As3 octahedra, a cornercorner with one AsCs2As3 square pyramid, corners with two AsCs2As3 trigonal bipyramids, a cornercorner with one AsCsAs3 trigonal pyramid, an edgeedge with one AsCs2As3 square pyramid, and edges with two AsCs3As2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 22–59°. There are one shorter (2.42 Å) and one longer (2.43 Å) As–As bond lengths. In the sixth As+0.27- site, As+0.27- is bonded in a distorted rectangular see-saw-like geometry to two Cs1+ and three As+0.27- atoms. In the seventh As+0.27- site, As+0.27- is bonded to three Cs1+ and three As+0.27- atoms to form distorted AsCs3As3 octahedra that share corners with two equivalent AsCs2As3 square pyramids, corners with nine AsCs3As2 trigonal bipyramids, a cornercorner with one AsCsAs3 trigonal pyramid, an edgeedge with one AsCs3As3 octahedra, and an edgeedge with one AsCs3As2 trigonal bipyramid. There are one shorter (2.43 Å) and one longer (2.48 Å) As–As bond lengths. In the eighth As+0.27- site, As+0.27- is bonded to two Cs1+ and three As+0.27- atoms to form distorted AsCs2As3 trigonal bipyramids that share corners with three equivalent AsCs3As3 octahedra, corners with two equivalent AsCs2As3 square pyramids, corners with three AsCs3As2 trigonal bipyramids, and corners with two equivalent AsCsAs3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 21–79°. In the ninth As+0.27- site, As+0.27- is bonded to three Cs1+ and two As+0.27- atoms to form AsCs3As2 trigonal bipyramids that share corners with two equivalent AsCs3As3 octahedra, corners with three equivalent AsCs2As3 square pyramids, corners with three AsCs3As2 trigonal bipyramids, a cornercorner with one AsCsAs3 trigonal pyramid, an edgeedge with one AsCs3As3 octahedra, and an edgeedge with one AsCs3As2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 55–88°. The As–As bond length is 2.42 Å. In the tenth As+0.27- site, As+0.27- is bonded in a 6-coordinate geometry to four Cs1+ and two As+0.27- atoms. In the eleventh As+0.27- site, As+0.27- is bonded in a 5-coordinate geometry to two Cs1+ and three As+0.27- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3As by Materials Project

Cs3As crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Cs3As ribbons oriented in the (0, 0, 1) direction. Cs1+ is bonded in a water-like geometry to two equivalent As3- atoms. Both Cs–As bond lengths are 3.64 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cs1+ atoms.

36 MATERIALS SCIENCE↗