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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Re4Cl8O9 by Materials Project

Re2(OCl2)3(ReO3Cl)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Re2(OCl2)3 cluster and two ReO3Cl clusters. In the Re2(OCl2)3 cluster, Re+6.50+ is bonded in a 2-coordinate geometry to two O2- and three Cl1- atoms. There is one shorter (1.69 Å) and one longer (1.87 Å) Re–O bond length. There are two shorter (2.31 Å) and one longer (2.32 Å) Re–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.50+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In each ReO3Cl cluster, Re+6.50+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.72 Å) and one longer (1.74 Å) Re–O bond length. The Re–Cl bond length is 2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReCl3O2 by Materials Project

ReO2Cl3 is Tungsten structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two ReO2Cl3 clusters. Re7+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Re–O bond lengths are 1.71 Å. There are two shorter (2.29 Å) and two longer (2.62 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re7+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Re7+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re2Cl5O4 by Materials Project

Re2O4Cl5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re2O4Cl5 clusters. there are two inequivalent Re+6.50+ sites. In the first Re+6.50+ site, Re+6.50+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.72 Å) and one longer (1.75 Å) Re–O bond length. The Re–Cl bond length is 2.22 Å. In the second Re+6.50+ site, Re+6.50+ is bonded in a 1-coordinate geometry to two O2- and four Cl1- atoms. There are one shorter (1.69 Å) and one longer (2.57 Å) Re–O bond lengths. There are two shorter (2.29 Å) and two longer (2.30 Å) Re–Cl bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Re+6.50+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReClO3 by Materials Project

ReO3Cl is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ReO3Cl clusters. Re7+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is one shorter (1.72 Å) and two longer (1.73 Å) Re–O bond length. The Re–Cl bond length is 2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. Cl1- is bonded in a single-bond geometry to one Re7+ atom.

36 MATERIALS SCIENCE↗