Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cl-Pb-Tl”

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.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TlPb2Cl5 by Materials Project

TlPb2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.24–3.93 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.92–3.48 Å. In the second Pb2+ site, Pb2+ is bonded to seven Cl1- atoms to form distorted edge-sharing PbCl7 pentagonal bipyramids. There are a spread of Pb–Cl bond distances ranging from 2.90–3.20 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Tl1+ and three Pb2+ atoms. In the second Cl1- site, Cl1- is bonded to two equivalent Tl1+ and three Pb2+ atoms to form distorted ClTl2Pb3 trigonal bipyramids that share corners with eight ClTl2Pb3 trigonal bipyramids, corners with two equivalent ClPb4 trigonal pyramids, an edgeedge with one ClTl2Pb3 trigonal bipyramid, edges with two equivalent ClPb4 trigonal pyramids, and a faceface with one ClTl2Pb3 trigonal bipyramid. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and two equivalent Pb2+ atoms. In the fourth Cl1- site, Cl1- is bonded to four Pb2+ atoms to form distorted ClPb4 trigonal pyramids that share corners with six ClTl2Pb3 trigonal bipyramids, corners with two equivalent ClPb4 trigonal pyramids, edges with three ClTl2Pb3 trigonal bipyramids, and an edgeedge with one ClPb4 trigonal pyramid. In the fifth Cl1- site, Cl1- is bonded to two equivalent Tl1+ and three Pb2+ atoms to form distorted ClTl2Pb3 trigonal bipyramids that share corners with four equivalent ClTl2Pb3 trigonal bipyramids, corners with four equivalent ClPb4 trigonal pyramids, edges with three ClTl2Pb3 trigonal bipyramids, an edgeedge with one ClPb4 trigonal pyramid, and a faceface with one ClTl2Pb3 trigonal bipyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3PbCl5 by Materials Project

Tl3PbCl5 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to seven Cl1- atoms to form distorted face-sharing TlCl7 pentagonal bipyramids. There are a spread of Tl–Cl bond distances ranging from 3.04–3.53 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.15–3.52 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.14–3.72 Å. Pb2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.75–3.45 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Tl1+ and two equivalent Pb2+ atoms to form ClTl4Pb2 octahedra that share corners with ten ClTl4Pb2 octahedra, corners with two equivalent ClTl5 trigonal bipyramids, an edgeedge with one ClTl5 trigonal bipyramid, faces with four ClTl4Pb2 octahedra, and a faceface with one ClTl5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 28–55°. In the second Cl1- site, Cl1- is bonded to four Tl1+ and two equivalent Pb2+ atoms to form distorted ClTl4Pb2 octahedra that share corners with seven ClTl4Pb2 octahedra, corners with three equivalent ClTl5 trigonal bipyramids, edges with four ClTl4Pb2 octahedra, edges with two equivalent ClTl5 trigonal bipyramids, and faces with two equivalent ClTl4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 30–45°. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Tl1+ and two equivalent Pb2+ atoms. In the fourth Cl1- site, Cl1- is bonded to five Tl1+ atoms to form distorted ClTl5 trigonal bipyramids that share corners with nine ClTl4Pb2 octahedra, edges with five ClTl4Pb2 octahedra, edges with two equivalent ClTl5 trigonal bipyramids, and a faceface with one ClTl4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 33–89°. In the fifth Cl1- site, Cl1- is bonded to five Tl1+ and one Pb2+ atom to form distorted ClTl5Pb octahedra that share corners with seven ClTl4Pb2 octahedra, corners with four equivalent ClTl5 trigonal bipyramids, edges with four ClTl4Pb2 octahedra, edges with two equivalent ClTl5 trigonal bipyramids, and faces with two equivalent ClTl4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 28–55°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3PbCl5 by Materials Project

Tl3PbCl5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.13–3.72 Å. In the second Tl1+ site, Tl1+ is bonded to seven Cl1- atoms to form distorted TlCl7 pentagonal bipyramids that share corners with three equivalent TlCl7 pentagonal bipyramids, corners with four equivalent PbCl7 pentagonal bipyramids, an edgeedge with one PbCl7 pentagonal bipyramid, edges with four TlCl7 pentagonal bipyramids, a faceface with one TlCl7 pentagonal bipyramid, and a faceface with one PbCl7 pentagonal bipyramid. There are a spread of Tl–Cl bond distances ranging from 3.22–3.39 Å. In the third Tl1+ site, Tl1+ is bonded to seven Cl1- atoms to form distorted TlCl7 pentagonal bipyramids that share a cornercorner with one PbCl7 pentagonal bipyramid, corners with three equivalent TlCl7 pentagonal bipyramids, edges with four TlCl7 pentagonal bipyramids, a faceface with one TlCl7 pentagonal bipyramid, and faces with three equivalent PbCl7 pentagonal bipyramids. There are a spread of Tl–Cl bond distances ranging from 3.10–3.39 Å. Pb2+ is bonded to seven Cl1- atoms to form distorted PbCl7 pentagonal bipyramids that share corners with five TlCl7 pentagonal bipyramids, an edgeedge with one TlCl7 pentagonal bipyramid, edges with two equivalent PbCl7 pentagonal bipyramids, and faces with four TlCl7 pentagonal bipyramids. There are a spread of Pb–Cl bond distances ranging from 2.80–3.34 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to five Tl1+ and one Pb2+ atom to form distorted ClTl5Pb octahedra that share corners with seven ClTl5Pb octahedra, corners with seven ClTl4Pb trigonal bipyramids, edges with four ClTl4Pb trigonal bipyramids, and faces with two equivalent ClTl4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 35–59°. In the second Cl1- site, Cl1- is bonded to four Tl1+ and one Pb2+ atom to form ClTl4Pb trigonal bipyramids that share corners with five ClTl5Pb octahedra, corners with two equivalent ClTl4Pb trigonal bipyramids, edges with three ClTl5Pb octahedra, edges with three equivalent ClTl4Pb trigonal bipyramids, and a faceface with one ClTl4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 36–80°. In the third Cl1- site, Cl1- is bonded to four Tl1+ and one Pb2+ atom to form distorted ClTl4Pb trigonal bipyramids that share corners with six ClTl5Pb octahedra, corners with two equivalent ClTl4Pb trigonal bipyramids, edges with three ClTl5Pb octahedra, edges with three equivalent ClTl4Pb trigonal bipyramids, and a faceface with one ClTl4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 21–43°. In the fourth Cl1- site, Cl1- is bonded to four Tl1+ and two equivalent Pb2+ atoms to form ClTl4Pb2 octahedra that share corners with seven ClTl5Pb octahedra, corners with four ClTl4Pb trigonal bipyramids, edges with two ClTl4Pb trigonal bipyramids, faces with two equivalent ClTl5Pb octahedra, and faces with two ClTl4Pb trigonal bipyramids. The corner-sharing octahedra tilt angles range from 35–59°. In the fifth Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Tl1+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlPbCl3 by Materials Project

TlPbCl3 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 2.95–3.40 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.00–3.56 Å. In the third Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.34–3.52 Å. There are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.91–3.09 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 3.06–3.13 Å. In the third Pb2+ site, Pb2+ is bonded to seven Cl1- atoms to form distorted edge-sharing PbCl7 pentagonal bipyramids. There are a spread of Pb–Cl bond distances ranging from 2.73–3.22 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to eight Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.76–3.39 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.83–3.11 Å. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to three Tl1+ and three Pb2+ atoms to form distorted ClTl3Pb3 octahedra that share corners with two equivalent ClTl3Pb3 octahedra, a cornercorner with one ClTl2Pb2 tetrahedra, an edgeedge with one ClTl3Pb3 octahedra, an edgeedge with one ClTl2Pb2 tetrahedra, and a faceface with one ClTl3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 35–42°. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Tl1+ and two Pb2+ atoms. In the third Cl1- site, Cl1- is bonded in a T-shaped geometry to two equivalent Tl1+ and one Pb2+ atom. In the fourth Cl1- site, Cl1- is bonded in a T-shaped geometry to two equivalent Tl1+ and one Pb2+ atom. In the fifth Cl1- site, Cl1- is bonded to two equivalent Tl1+ and two Pb2+ atoms to form distorted ClTl2Pb2 tetrahedra that share corners with two equivalent ClTl3Pb3 octahedra, edges with two equivalent ClTl3Pb3 octahedra, and an edgeedge with one ClTl2Pb2 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one Tl1+ and three Pb2+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 6-coordinate geometry to three Tl1+ and three Pb2+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 6-coordinate geometry to three Tl1+ and three Pb2+ atoms. In the ninth Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Pb2+ atoms.

36 MATERIALS SCIENCE↗