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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ReSbOF10 by Materials Project

Re2O2F9Sb2F11 is Tetraauricupride structured and crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of one Re2O2F9 cluster and one Sb2F11 cluster. In the Re2O2F9 cluster, Re7+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing ReOF5 octahedra. The corner-sharing octahedral tilt angles are 8°. The Re–O bond length is 1.68 Å. There are a spread of Re–F bond distances ranging from 1.84–2.13 Å. O2- is bonded in a single-bond geometry to one Re7+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the Sb2F11 cluster, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There is five shorter (1.90 Å) and one longer (2.08 Å) Sb–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Sb5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReSb(OF4)2 by Materials Project

ReSb(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two ReSb(OF4)2 ribbons oriented in the (0, 1, 0) direction. Re7+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. Both Re–O bond lengths are 1.70 Å. There are a spread of Re–F bond distances ranging from 1.85–2.26 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.00 Å. In the second Sb5+ site, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.89 Å) and two longer (2.01 Å) Sb–F bond length. There are two 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. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Re7+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

36 MATERIALS SCIENCE↗