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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Os(OF2)2 by Materials Project

Os(OF2)2 crystallizes in the hexagonal P6_1 space group. The structure is zero-dimensional and consists of six Os(OF2)2 clusters. Os8+ is bonded in an octahedral geometry to two O2- and four F1- atoms. There is one shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There are a spread of Os–F bond distances ranging from 1.89–1.93 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Os8+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Os8+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Os8+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Os(OF2)2 by Materials Project

Os(OF2)2 is Protactinium-like structured and crystallizes in the hexagonal P6_1 space group. The structure is zero-dimensional and consists of six Os(OF2)2 clusters. Os8+ is bonded in an octahedral geometry to two O2- and four F1- atoms. There is one shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There is two shorter (1.88 Å) and two longer (1.94 Å) Os–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2OsC6(OF2)6 by Materials Project

Os(CO)6(SbF6)2 is Fluorite structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of two Os(CO)6 clusters and four SbF6 clusters. In each Os(CO)6 cluster, Os2- is bonded in an octahedral geometry to six C4+ atoms. There are two shorter (2.01 Å) and four longer (2.02 Å) Os–C bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one Os2- and one O2- atom. The C–O bond length is 1.14 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In each SbF6 cluster, Sb1+ is bonded in an octahedral geometry to six F1- atoms. All Sb–F bond lengths are 1.92 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom.

36 MATERIALS SCIENCE↗