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47 records · Page 3

Materials Data on Mn(NCl3)2 by Materials Project

MnCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four hexachloromanganese molecules.

36 MATERIALS SCIENCE↗

Materials Data on Mo(NCl3)2 by Materials Project

MoCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four hexachloromolybdenum molecules.

36 MATERIALS SCIENCE↗

Materials Data on Ir(NCl3)2 by Materials Project

IrCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four IrCl6 clusters. In each IrCl6 cluster, Ir4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Ir–Cl bond lengths are 2.30 Å. Cl1- is bonded in a single-bond geometry to one Ir4+ atom.

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Materials Data on Se(NCl3)2 by Materials Project

N2SeCl6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four SeCl6 clusters. In each SeCl6 cluster, Se2- is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Se–Cl bond lengths are 2.31 Å. Cl1- is bonded in a single-bond geometry to one Se2- atom.

36 MATERIALS SCIENCE↗

Materials Data on SnC8(NCl3)2 by Materials Project

(C4N)2SnCl6 is Fluorite structured and crystallizes in the cubic Fd-3c space group. The structure is zero-dimensional and consists of sixty-four tetramethylammonium molecules and thirty-two SnCl6 clusters. In each SnCl6 cluster, Sn4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Sn–Cl bond lengths are 2.49 Å. Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Pt(NCl3)2 by Materials Project

PtCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four PtCl6 clusters. In each PtCl6 cluster, Pt4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pt–Cl bond lengths are 2.32 Å. Cl1- is bonded in a single-bond geometry to one Pt4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on ZrC8(NCl3)2 by Materials Project

ZrCl6(C4N)2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight tetramethylammonium molecules and four ZrCl6 clusters. In each ZrCl6 cluster, Zr4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Zr–Cl bond lengths are 2.49 Å. Cl1- is bonded in a single-bond geometry to one Zr4+ atom.

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Materials Data on SbP3C(NCl5)3 by Materials Project

CP3(NCl3)3SbCl6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CP3(NCl3)3 clusters and two SbCl6 clusters. In each CP3(NCl3)3 cluster, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.57 Å. There are a spread of P–Cl bond distances ranging from 1.98–2.00 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.58 Å. There is one shorter (1.97 Å) and two longer (1.99 Å) P–Cl bond length. In the third P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.58 Å. There is two shorter (1.98 Å) and one longer (2.00 Å) P–Cl bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the ninth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.40–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on MoC8N4Cl7 by Materials Project

MoC4(NCl3)2C4N2Cl crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of two C4N2Cl clusters and two MoC4(NCl3)2 clusters. In each C4N2Cl cluster, 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 1.23 Å. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.29 Å. The C–Cl bond length is 1.98 Å. N3- is bonded in a linear geometry to two C2+ atoms. Cl1- is bonded in a linear geometry to two equivalent C2+ atoms. In each MoC4(NCl3)2 cluster, Mo3+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Mo–Cl bond distances ranging from 2.26–2.80 Å. 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 1.21 Å. In the second C2+ site, C2+ is bonded in a water-like geometry to one N3- and one Cl1- atom. The C–N bond length is 1.33 Å. The C–Cl bond length is 1.75 Å. N3- is bonded in a linear geometry to two C2+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Mo3+ and one C2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Cr3C8(NCl2)6 by Materials Project

Cr3C4(NCl3)4(C2N)2 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of four ch3nc molecules and two Cr3C4(NCl3)4 ribbons oriented in the (1, 0, 0) direction. In each Cr3C4(NCl3)4 ribbon, there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are two shorter (2.37 Å) and four longer (2.39 Å) Cr–Cl bond lengths. In the second Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form distorted face-sharing CrCl6 octahedra. There are a spread of Cr–Cl bond distances ranging from 2.23–2.96 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a trigonal planar geometry to one N3- and two equivalent Cl1- atoms. The C–N bond length is 1.32 Å. Both C–Cl bond lengths are 1.71 Å. In the second C3+ site, C3+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.20 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two C3+ atoms. In the second N3- site, N3- is bonded in a 1-coordinate geometry to three Cl1- atoms. There are one shorter (3.61 Å) and two longer (3.62 Å) N–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Cr2+ and one C3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two Cr2+ and one N3- atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two Cr2+ and one N3- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cr2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on RhN3Cl6O by Materials Project

Rh(NCl3)2NO is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four Rh(NCl3)2 clusters. In each Rh(NCl3)2 cluster, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Rh–Cl bond distances ranging from 2.30–2.62 Å. There are two inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.56 Å. In the second N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.60 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to one Rh3+ and one N+1.67+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Rh3+ and one N+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom.

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