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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ReTe7O7F32 by Materials Project

ReTe7O7F32 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ReTe7O7F32 clusters. Re6+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Re–O bond distances ranging from 1.68–1.98 Å. The Re–F bond length is 2.28 Å. There are seven inequivalent Te+5.71+ sites. In the first Te+5.71+ site, Te+5.71+ is bonded in a rectangular see-saw-like geometry to two O2- and two F1- atoms. There is one shorter (1.93 Å) and one longer (2.00 Å) Te–O bond length. There is one shorter (1.87 Å) and one longer (2.10 Å) Te–F bond length. In the second Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. In the third Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There is two shorter (1.87 Å) and three longer (1.88 Å) Te–F bond length. In the fourth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.92 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the fifth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.92 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the sixth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There is two shorter (1.87 Å) and three longer (1.88 Å) Te–F bond length. In the seventh Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.90 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.71+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.71+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. There are thirty-two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-sixth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-seventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-eighth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-ninth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirtieth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirty-first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Re6+ and one Te+5.71+ atom. In the thirty-second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReTe5O6F25 by Materials Project

ReTe5O6F25 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ReTe5O6F25 clusters. Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with five TeOF5 octahedra. The corner-sharing octahedra tilt angles range from 33–42°. There are a spread of Re–O bond distances ranging from 1.72–2.01 Å. There are five inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form TeOF5 octahedra that share a cornercorner with one ReO6 octahedra. The corner-sharing octahedral tilt angles are 36°. The Te–O bond length is 1.90 Å. There is one shorter (1.87 Å) and four longer (1.88 Å) Te–F bond length. In the second Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form TeOF5 octahedra that share a cornercorner with one ReO6 octahedra. The corner-sharing octahedral tilt angles are 40°. The Te–O bond length is 1.93 Å. There is four shorter (1.87 Å) and one longer (1.88 Å) Te–F bond length. In the third Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form TeOF5 octahedra that share a cornercorner with one ReO6 octahedra. The corner-sharing octahedral tilt angles are 33°. The Te–O bond length is 1.94 Å. There is one shorter (1.86 Å) and four longer (1.87 Å) Te–F bond length. In the fourth Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form TeOF5 octahedra that share a cornercorner with one ReO6 octahedra. The corner-sharing octahedral tilt angles are 33°. The Te–O bond length is 1.93 Å. There is two shorter (1.86 Å) and three longer (1.87 Å) Te–F bond length. In the fifth Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form TeOF5 octahedra that share a cornercorner with one ReO6 octahedra. The corner-sharing octahedral tilt angles are 42°. The Te–O bond length is 1.93 Å. There is four shorter (1.87 Å) and one longer (1.88 Å) Te–F bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Te6+ 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 bent 150 degrees geometry to one Re7+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one Te6+ atom. There are twenty-five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the twenty-second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom.

36 MATERIALS SCIENCE↗