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48 records · Page 3
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DOE OSTI2020

Materials Data on Cu(Cl2O)2 by Materials Project

CuCl4O2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cu is bonded in a 8-coordinate geometry to four equivalent O and four equivalent Cl atoms. All Cu–O bond lengths are 2.18 Å. All Cu–Cl bond lengths are 2.64 Å. O is bonded in a distorted square co-planar geometry to two equivalent Cu and two equivalent Cl atoms. Both O–Cl bond lengths are 2.07 Å. Cl is bonded in a 1-coordinate geometry to one Cu, one O, and one Cl atom. The Cl–Cl bond length is 2.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Mn(Cl2O)2 by Materials Project

Rb2Mn(OCl2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to two equivalent O and eight Cl atoms. There are one shorter (3.18 Å) and one longer (3.55 Å) Rb–O bond lengths. There are a spread of Rb–Cl bond distances ranging from 3.37–3.69 Å. Mn is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both Mn–O bond lengths are 1.73 Å. All Mn–Cl bond lengths are 2.37 Å. O is bonded in a single-bond geometry to two equivalent Rb and one Mn atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 1-coordinate geometry to four equivalent Rb and one Mn atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Mn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtN4(Cl2O)2 by Materials Project

PtCl2(N2)2(ClO)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hypochlorous acid molecules, four nitrogen molecules, and two platinum(ii) chloride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuN2(Cl2O)2 by Materials Project

CuCl4O2N2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four ammonia molecules and two CuCl4O2 clusters. In each CuCl4O2 cluster, Cu2+ is bonded in a square co-planar geometry to two O2- and two Cl1- atoms. Both Cu–O bond lengths are 1.91 Å. Both Cu–Cl bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Cl1- atom. The O–Cl bond length is 1.61 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Cl1- atom. The O–Cl bond length is 1.61 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one O2- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuN2(Cl2O)2 by Materials Project

CuN2(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 2.29 Å. O2- is bonded in a distorted single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. There are two shorter (2.13 Å) and two longer (2.46 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to two equivalent N3+ and two equivalent O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KOsN(Cl2O)2 by Materials Project

KOsN(OCl2)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.75–3.08 Å. There are two shorter (3.39 Å) and two longer (3.67 Å) K–Cl bond lengths. Os2+ is bonded in a distorted octahedral geometry to one N5+, one O2-, and four Cl1- atoms. The Os–N bond length is 1.69 Å. The Os–O bond length is 2.01 Å. There are two shorter (2.31 Å) and two longer (2.39 Å) Os–Cl bond lengths. N5+ is bonded in a single-bond geometry to one Os2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and one Os2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Cl1- atoms. Both O–Cl bond lengths are 2.44 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one K1+ and one Os2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+, one Os2+, and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb(Cl2O)3 by Materials Project

(SbCl6)2(O2)3 is Modderite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trioxidane molecules and four SbCl6 clusters. In each SbCl6 cluster, Sb is bonded in an octahedral geometry to six Cl atoms. There are a spread of Sb–Cl bond distances ranging from 2.39–2.41 Å. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RhC4N(Cl2O)2 by Materials Project

RhO2Cl3C4NCl crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two RhO2Cl3 clusters and two C4NCl ribbons oriented in the (1, 0, 0) direction. In each RhO2Cl3 cluster, Rh3+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent O2- and three Cl1- atoms. Both Rh–O bond lengths are 1.74 Å. There are one shorter (2.23 Å) and two longer (2.37 Å) Rh–Cl bond lengths. O2- is bonded in a single-bond geometry to one Rh3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In each C4NCl ribbon, there are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.62 Å. In the second C2+ site, C2+ is bonded in a distorted bent 120 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.63 Å. The C–Cl bond length is 2.05 Å. N3- is bonded in a 4-coordinate geometry to four C2+ atoms. Cl1- is bonded in a linear geometry to two equivalent C2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RuN3(Cl2O)2 by Materials Project

RuOCl4N2NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four nitroxyl molecules, and four RuOCl4 clusters. In each RuOCl4 cluster, Ru5+ is bonded in a distorted square pyramidal geometry to one O2- and four Cl1- atoms. The Ru–O bond length is 1.72 Å. There are a spread of Ru–Cl bond distances ranging from 2.32–2.37 Å. O2- is bonded in a single-bond geometry to one Ru5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Cu(Cl2O)2 by Materials Project

K2CuCl4O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules and one K2CuCl4 framework. In the K2CuCl4 framework, K is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All K–Cl bond lengths are 3.37 Å. Cu is bonded in a square co-planar geometry to four equivalent Cl atoms. All Cu–Cl bond lengths are 2.28 Å. Cl is bonded in a distorted single-bond geometry to four equivalent K and one Cu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2Ca(Cl2O)2 by Materials Project

Cs2Ca(OCl2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to two equivalent O and seven Cl atoms. There are one shorter (3.26 Å) and one longer (3.51 Å) Cs–O bond lengths. There are a spread of Cs–Cl bond distances ranging from 3.45–3.97 Å. Ca is bonded in an octahedral geometry to two equivalent O and four Cl atoms. Both Ca–O bond lengths are 2.32 Å. There are two shorter (2.72 Å) and two longer (2.90 Å) Ca–Cl bond lengths. O is bonded in a distorted bent 120 degrees geometry to two equivalent Cs, one Ca, and one Cl atom. The O–Cl bond length is 1.67 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 2-coordinate geometry to three equivalent Cs, one Ca, and one O atom. In the second Cl site, Cl is bonded in a 5-coordinate geometry to four equivalent Cs and one Ca atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PdN4Cl2O by Materials Project

Pd(N2)2Cl2O crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional and consists of four nitrogen molecules, two palladium molecules, and one Cl2O framework. In the Cl2O framework, O2- is bonded in a 8-coordinate geometry to four equivalent Cl1- atoms. All O–Cl bond lengths are 3.70 Å. Cl1- is bonded in a 6-coordinate geometry to two equivalent O2- and four equivalent Cl1- atoms. All Cl–Cl bond lengths are 3.91 Å.

36 MATERIALS SCIENCE↗