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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrH12(ClO3)2 by Materials Project

Sr(H2O)6Cl2 crystallizes in the trigonal P321 space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and one Sr(H2O)6 ribbon oriented in the (0, 0, 1) direction. In the Sr(H2O)6 ribbon, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.57 Å) and six longer (2.76 Å) Sr–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two equivalent H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrHClO by Materials Project

SrHOCl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three equivalent O2- and four equivalent Cl1- atoms. All Sr–O bond lengths are 2.51 Å. There are three shorter (3.06 Å) and one longer (3.16 Å) Sr–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one H1+ atom. Cl1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrH9ClO5 by Materials Project

(SrH9O5)2Cl2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and one SrH9O5 sheet oriented in the (0, 1, 0) direction. In the SrH9O5 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.75 Å. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.61 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.64 Å) H–O bond length. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+ and three H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and four H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrH2Cl2O by Materials Project

SrHOClHCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four hydrochloric acid molecules and two SrHOCl ribbons oriented in the (1, 0, 0) direction. In each SrHOCl ribbon, Sr2+ is bonded in a 4-coordinate geometry to three equivalent O2- and one Cl1- atom. There are two shorter (2.50 Å) and one longer (2.52 Å) Sr–O bond lengths. The Sr–Cl bond length is 2.85 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one H1+ atom. Cl1- is bonded in a single-bond geometry to one Sr2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrH4(ClO)2 by Materials Project

SrH4(OCl)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two SrH4(OCl)2 sheets oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. There are two shorter (2.70 Å) and two longer (2.74 Å) Sr–O bond lengths. There are two shorter (2.99 Å) and two longer (3.03 Å) Sr–Cl bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.12 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. Cl1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one H1+ atom.

36 MATERIALS SCIENCE↗