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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr4Cl6O by Materials Project

Sr4OCl6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to one O2- and seven Cl1- atoms. The Sr–O bond length is 2.39 Å. There are a spread of Sr–Cl bond distances ranging from 2.98–3.34 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to one O2- and six Cl1- atoms. The Sr–O bond length is 2.37 Å. There are three shorter (3.00 Å) and three longer (3.20 Å) Sr–Cl bond lengths. O2- is bonded in a tetrahedral geometry to four Sr2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ClO3)2 by Materials Project

Sr(O3Cl)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.63–2.71 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Sr and one Cl atom. The O–Cl bond length is 1.49 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Sr and one Cl atom. The O–Cl bond length is 1.51 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Sr and one Cl atom. The O–Cl bond length is 1.53 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ClO2)2 by Materials Project

Sr(O2Cl)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Sr(O2Cl)2 sheets oriented in the (0, 1, 0) direction. Sr is bonded in a 8-coordinate geometry to eight equivalent O atoms. All Sr–O bond lengths are 2.65 Å. O is bonded in a trigonal planar geometry to two equivalent Sr and one Cl atom. The O–Cl bond length is 1.59 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ClO)2 by Materials Project

Sr(OCl)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Sr(OCl)2 ribbons oriented in the (0, 0, 1) direction. Sr is bonded in a 8-coordinate geometry to four equivalent O atoms. There are two shorter (2.49 Å) and two longer (2.50 Å) Sr–O bond lengths. O is bonded in a trigonal planar geometry to two equivalent Sr and one Cl atom. The O–Cl bond length is 1.67 Å. Cl is bonded in a distorted single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ClO3)2 by Materials Project

Sr(O3Cl)2 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of two Sr(O3Cl)2 ribbons oriented in the (0, 0, 1) direction. Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.57 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one O and one Cl atom. The O–O bond length is 1.34 Å. The O–Cl bond length is 1.81 Å. In the second O site, O is bonded in a 3-coordinate geometry to one Sr and two equivalent O atoms. Both O–O bond lengths are 1.80 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Sr and one O atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Sr and two equivalent O atoms. Cl is bonded in a single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗