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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbAs by Materials Project

RbAs is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Rb–As bond distances ranging from 3.47–3.90 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of Rb–As bond distances ranging from 3.44–3.64 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent As1- atoms. There are one shorter (2.53 Å) and one longer (2.55 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent As1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2As3 by Materials Project

Rb2As3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to eight As+0.67- atoms to form a mixture of face, edge, and corner-sharing RbAs8 hexagonal bipyramids. There are four shorter (3.72 Å) and four longer (3.77 Å) Rb–As bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten As+0.67- atoms. There are six shorter (3.63 Å) and four longer (3.75 Å) Rb–As bond lengths. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Rb1+ and two As+0.67- atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent As+0.67- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3As by Materials Project

Rb3As is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to four equivalent As3- atoms. There are one shorter (3.58 Å) and three longer (4.03 Å) Rb–As bond lengths. In the second Rb1+ site, Rb1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Rb–As bond lengths are 3.57 Å. As3- is bonded to eleven Rb1+ atoms to form a mixture of distorted edge and face-sharing AsRb11 trigonal bipyramids.

36 MATERIALS SCIENCE↗