Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cl-K-O-Pr”

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 K2Pr4Cl9O2 by Materials Project

K2Pr4O2Cl9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 5-coordinate geometry to five Cl atoms. There are a spread of K–Cl bond distances ranging from 3.03–3.43 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent O and six Cl atoms. Both Pr–O bond lengths are 2.40 Å. There are a spread of Pr–Cl bond distances ranging from 2.90–3.13 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent O and seven Cl atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Pr–O bond lengths. There are a spread of Pr–Cl bond distances ranging from 2.90–3.32 Å. In the third Pr site, Pr is bonded in a 8-coordinate geometry to two equivalent O and six Cl atoms. Both Pr–O bond lengths are 2.40 Å. There are a spread of Pr–Cl bond distances ranging from 2.90–3.17 Å. O is bonded to four Pr atoms to form OPr4 tetrahedra that share corners with six ClK2Pr2 trigonal pyramids, edges with two equivalent OPr4 tetrahedra, and edges with two ClK2Pr2 trigonal pyramids. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded to two equivalent K and two Pr atoms to form distorted ClK2Pr2 trigonal pyramids that share corners with two equivalent OPr4 tetrahedra, corners with three ClK2Pr2 trigonal pyramids, an edgeedge with one OPr4 tetrahedra, and edges with two ClK2Pr2 trigonal pyramids. In the second Cl site, Cl is bonded to one K and three Pr atoms to form distorted ClKPr3 trigonal pyramids that share corners with four equivalent OPr4 tetrahedra, corners with three ClK2Pr2 trigonal pyramids, an edgeedge with one OPr4 tetrahedra, and edges with two ClK2Pr2 trigonal pyramids. In the third Cl site, Cl is bonded in a 3-coordinate geometry to three Pr atoms. In the fourth Cl site, Cl is bonded in a 6-coordinate geometry to two equivalent K and four Pr atoms. In the fifth Cl site, Cl is bonded in a distorted linear geometry to two Pr atoms. In the sixth Cl site, Cl is bonded in a 5-coordinate geometry to three Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KPr(ClO)4 by Materials Project

KPr(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.13 Å) and two longer (3.19 Å) K–O bond lengths. There are two shorter (3.10 Å) and two longer (3.59 Å) K–Cl bond lengths. Pr is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Pr–O bond lengths are 2.42 Å. There are two shorter (2.72 Å) and two longer (2.98 Å) Pr–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one K, one Pr, and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Pr and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalent K and one Pr atom.

36 MATERIALS SCIENCE↗