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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on As2SO6 by Materials Project

As2SO6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of one As2SO6 sheet oriented in the (0, 1, 0) direction. As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.95 Å. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.55 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2S2O9 by Materials Project

As2S2O9 crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of four As2S2O9 clusters. there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.93 Å. In the second As5+ site, As5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.80–1.93 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.56 Å. In the second S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2(SO4)3 by Materials Project

As2(SO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two As2(SO4)3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is two shorter (1.87 Å) and one longer (1.91 Å) As–O bond length. In the second As5+ site, As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.85–1.90 Å. There are three inequivalent S+4.67+ sites. In the first S+4.67+ site, S+4.67+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.58 Å. In the second S+4.67+ site, S+4.67+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.59 Å. In the third S+4.67+ site, S+4.67+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.58 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one S+4.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one S+4.67+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one S+4.67+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one S+4.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one S+4.67+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one S+4.67+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2S2O9 by Materials Project

As2S2O9 crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of four As2S2O9 clusters. there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.92 Å. In the second As5+ site, As5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.91 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. In the second S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.56 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one S4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one S4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one S4+ atom.

36 MATERIALS SCIENCE↗