Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sr2CaI6”

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 Sr2CaI6 by Materials Project

Sr2CaI6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent CaI6 octahedra and edges with three equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sr–I bond lengths are 3.30 Å. Ca2+ is bonded to six equivalent I1- atoms to form CaI6 octahedra that share corners with twelve equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ca–I bond lengths are 3.20 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Sr2+ and one Ca2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with four equivalent SrI6 octahedra, corners with four equivalent CaI6 octahedra, an edgeedge with one SrI6 octahedra, and an edgeedge with one CaI6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are four shorter (3.30 Å) and two longer (3.32 Å) Sr–I bond lengths. Ca2+ is bonded to six I1- atoms to form CaI6 octahedra that share corners with eight equivalent SrI6 octahedra and edges with two equivalent SrI6 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are four shorter (3.15 Å) and two longer (3.19 Å) Ca–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Ca2+ atom. In the second I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Ca2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 is zeta iron carbide-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with four equivalent CaI6 octahedra, corners with six equivalent SrI6 octahedra, and an edgeedge with one CaI6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Sr–I bond distances ranging from 3.31–3.34 Å. In the second Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with two equivalent CaI6 octahedra, corners with six equivalent SrI6 octahedra, and edges with two equivalent CaI6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are four shorter (3.30 Å) and two longer (3.31 Å) Sr–I bond lengths. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six I1- atoms to form CaI6 octahedra that share corners with six equivalent SrI6 octahedra and edges with three equivalent SrI6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (3.15 Å) and three longer (3.16 Å) Ca–I bond lengths. In the second Ca2+ site, Ca2+ is bonded to six equivalent I1- atoms to form CaI6 octahedra that share corners with six equivalent SrI6 octahedra and edges with three equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Ca–I bond lengths are 3.15 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Ca2+ atom. In the second I1- site, I1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Ca2+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Ca2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with six SrI6 octahedra, corners with two equivalent CaI6 pentagonal pyramids, an edgeedge with one SrI6 octahedra, and an edgeedge with one CaI6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Sr–I bond distances ranging from 3.25–3.45 Å. In the second Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with six SrI6 octahedra, corners with two equivalent CaI6 pentagonal pyramids, an edgeedge with one SrI6 octahedra, and an edgeedge with one CaI6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Sr–I bond distances ranging from 3.25–3.47 Å. In the third Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with six SrI6 octahedra, corners with two equivalent CaI6 pentagonal pyramids, an edgeedge with one SrI6 octahedra, and an edgeedge with one CaI6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 51–69°. There are a spread of Sr–I bond distances ranging from 3.25–3.44 Å. In the fourth Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with six SrI6 octahedra, corners with two equivalent CaI6 pentagonal pyramids, an edgeedge with one SrI6 octahedra, and an edgeedge with one CaI6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 51–69°. There are a spread of Sr–I bond distances ranging from 3.25–3.46 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six I1- atoms to form distorted CaI6 pentagonal pyramids that share corners with four SrI6 octahedra, edges with two SrI6 octahedra, and edges with two equivalent CaI6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Ca–I bond distances ranging from 3.18–3.26 Å. In the second Ca2+ site, Ca2+ is bonded to six I1- atoms to form distorted CaI6 pentagonal pyramids that share corners with four SrI6 octahedra, edges with two SrI6 octahedra, and edges with two equivalent CaI6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Ca–I bond distances ranging from 3.19–3.25 Å. There are twelve inequivalent I1- sites. In the first I1- site, I1- is bonded in a trigonal non-coplanar geometry to one Sr2+ and two Ca2+ atoms. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to one Sr2+ and two Ca2+ atoms. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one Ca2+ atom. In the fourth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one Ca2+ atom. In the fifth I1- site, I1- is bonded in a distorted trigonal planar geometry to three Sr2+ atoms. In the sixth I1- site, I1- is bonded in a distorted trigonal planar geometry to three Sr2+ atoms. In the seventh I1- site, I1- is bonded in a distorted trigonal planar geometry to three Sr2+ atoms. In the eighth I1- site, I1- is bonded in a distorted trigonal planar geometry to three Sr2+ atoms. In the ninth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one Ca2+ atom. In the tenth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one Ca2+ atom. In the eleventh I1- site, I1- is bonded in a trigonal non-coplanar geometry to one Sr2+ and two Ca2+ atoms. In the twelfth I1- site, I1- is bonded in a trigonal non-coplanar geometry to one Sr2+ and two Ca2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with two equivalent SrI6 octahedra, corners with six equivalent CaI6 octahedra, and edges with two equivalent SrI6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are two shorter (3.30 Å) and four longer (3.32 Å) Sr–I bond lengths. In the second Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with two equivalent CaI6 octahedra, corners with six SrI6 octahedra, and edges with two equivalent CaI6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are two shorter (3.28 Å) and four longer (3.31 Å) Sr–I bond lengths. Ca2+ is bonded to six I1- atoms to form CaI6 octahedra that share corners with eight SrI6 octahedra and edges with two equivalent SrI6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are two shorter (3.15 Å) and four longer (3.18 Å) Ca–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Ca2+ atom. In the second I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Ca2+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Ca2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.39–3.57 Å. Ca2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Ca–I bond lengths are 3.11 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Ca2+ atom. In the second I1- site, I1- is bonded to four equivalent Sr2+ atoms to form a mixture of corner and edge-sharing ISr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six I1- atoms to form distorted SrI6 octahedra that share corners with five equivalent CaI6 octahedra and an edgeedge with one SrI6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are a spread of Sr–I bond distances ranging from 3.27–3.48 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Sr–I bond distances ranging from 3.21–3.87 Å. Ca2+ is bonded to six I1- atoms to form CaI6 octahedra that share corners with five equivalent SrI6 octahedra and an edgeedge with one CaI6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are a spread of Ca–I bond distances ranging from 3.15–3.30 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent Ca2+ atoms. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to two Sr2+ and one Ca2+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one Ca2+ atom. In the fourth I1- site, I1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Ca2+ atom. In the fifth I1- site, I1- is bonded in a 2-coordinate geometry to two Sr2+ and one Ca2+ atom. In the sixth I1- site, I1- is bonded in a trigonal non-coplanar geometry to three Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.34–3.66 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.42–3.57 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a distorted tetrahedral geometry to four equivalent I1- atoms. All Ca–I bond lengths are 3.08 Å. In the second Ca2+ site, Ca2+ is bonded in a distorted square co-planar geometry to four equivalent I1- atoms. All Ca–I bond lengths are 3.11 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Ca2+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Ca2+ atom. In the third I1- site, I1- is bonded to four Sr2+ atoms to form a mixture of corner and edge-sharing ISr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to seven I1- atoms. There are a spread of Sr–I bond distances ranging from 3.29–3.99 Å. In the second Sr2+ site, Sr2+ is bonded to seven I1- atoms to form distorted SrI7 pentagonal bipyramids that share corners with five equivalent CaI6 octahedra, an edgeedge with one CaI6 octahedra, and an edgeedge with one SrI7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 35–60°. There are a spread of Sr–I bond distances ranging from 3.32–3.66 Å. Ca2+ is bonded to six I1- atoms to form CaI6 octahedra that share corners with five equivalent SrI7 pentagonal bipyramids, an edgeedge with one CaI6 octahedra, and an edgeedge with one SrI7 pentagonal bipyramid. There are a spread of Ca–I bond distances ranging from 3.12–3.27 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded to three Sr2+ and one Ca2+ atom to form distorted corner-sharing ISr3Ca tetrahedra. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Sr2+ and one Ca2+ atom. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent Ca2+ atoms. In the fourth I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Ca2+ atom. In the fifth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one Ca2+ atom. In the sixth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.38–3.92 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.39–3.73 Å. Ca2+ is bonded to six I1- atoms to form edge-sharing CaI6 octahedra. There are a spread of Ca–I bond distances ranging from 3.04–3.19 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Ca2+ atoms. In the second I1- site, I1- is bonded to three Sr2+ and one Ca2+ atom to form distorted ISr3Ca trigonal pyramids that share corners with four ISr3Ca trigonal pyramids and edges with two equivalent ISr4 trigonal pyramids. In the third I1- site, I1- is bonded to four Sr2+ atoms to form a mixture of distorted edge and corner-sharing ISr4 trigonal pyramids. In the fourth I1- site, I1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Ca2+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to two Sr2+ and one Ca2+ atom. In the sixth I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one Ca2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with four equivalent SrI6 octahedra, corners with four equivalent CaI6 octahedra, and edges with two equivalent SrI6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Sr–I bond distances ranging from 3.29–3.33 Å. Ca2+ is bonded to six I1- atoms to form CaI6 octahedra that share corners with eight equivalent SrI6 octahedra and edges with two equivalent CaI6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Ca–I bond distances ranging from 3.14–3.20 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent Ca2+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Ca2+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to three equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CaI6 by Materials Project

Sr2CaI6 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Sr–I bond distances ranging from 3.31–3.51 Å. Ca2+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Ca–I bond distances ranging from 3.09–3.14 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to two equivalent Sr2+ and one Ca2+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Ca2+ atom. In the third I1- site, I1- is bonded in a distorted T-shaped geometry to two equivalent Sr2+ and one Ca2+ atom.

36 MATERIALS SCIENCE↗