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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GeAs2 by Materials Project

GeAs2 crystallizes in the orthorhombic Pbam space group. The structure is two-dimensional and consists of two GeAs2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four As2- atoms to form corner-sharing GeAs4 tetrahedra. There are a spread of Ge–As bond distances ranging from 2.47–2.49 Å. In the second Ge4+ site, Ge4+ is bonded to four As2- atoms to form corner-sharing GeAs4 tetrahedra. There are a spread of Ge–As bond distances ranging from 2.48–2.54 Å. There are four inequivalent As2- sites. In the first As2- site, As2- is bonded in a distorted T-shaped geometry to three Ge4+ atoms. In the second As2- site, As2- is bonded in a 1-coordinate geometry to one Ge4+ and two equivalent As2- atoms. Both As–As bond lengths are 2.53 Å. In the third As2- site, As2- is bonded in a distorted trigonal non-coplanar geometry to one Ge4+ and two equivalent As2- atoms. In the fourth As2- site, As2- is bonded in a distorted trigonal non-coplanar geometry to three Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3As4 by Materials Project

Ge3As4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ge4+ is bonded to four equivalent As3- atoms to form corner-sharing GeAs4 tetrahedra. All Ge–As bond lengths are 2.51 Å. As3- is bonded in a trigonal non-coplanar geometry to three equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeAs by Materials Project

GeAs is Hittorf-derived structured and crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two GeAs ribbons oriented in the (0, 1, 0) direction. there are three inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.48 Å) and two longer (2.49 Å) Ge–As bond lengths. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.49 Å) and two longer (2.50 Å) Ge–As bond lengths. In the third Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.50 Å) and one longer (2.52 Å) Ge–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted T-shaped geometry to three Ge3+ atoms. In the second As3- site, As3- is bonded in a distorted T-shaped geometry to three Ge3+ atoms. In the third As3- site, As3- is bonded in a distorted T-shaped geometry to three Ge3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeAs3 by Materials Project

GeAs(As)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two As sheets oriented in the (0, 0, 1) direction and two GeAs sheets oriented in the (0, 0, 1) direction. In each As sheet, As+1.33- is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All As–As bond lengths are 2.70 Å. In each GeAs sheet, Ge4+ is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All Ge–As bond lengths are 2.70 Å. As+1.33- is bonded in a square co-planar geometry to four equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗