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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zn(H2N)2 by Materials Project

Zn(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Zn(NH2)2 frameworks. Zn2+ is bonded to four N3- atoms to form corner-sharing ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.04–2.08 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Zn2+ and two H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Zn2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnTe(H2N)4 by Materials Project

ZnTe(NH2)2(NH2)2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of eight ammonia molecules and two ZnTe(NH2)2 ribbons oriented in the (1, 0, 0) direction. In each ZnTe(NH2)2 ribbon, there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two N3- and two Te4+ atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Zn–N bond lengths. There are one shorter (2.62 Å) and one longer (2.64 Å) Zn–Te bond lengths. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to two N3- and two Te4+ atoms. There are one shorter (2.13 Å) and one longer (2.15 Å) Zn–N bond lengths. There are one shorter (2.59 Å) and one longer (2.62 Å) Zn–Te bond lengths. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to one Zn2+ and two H+0.75+ atoms. There is one shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the second N3- site, N3- is bonded in a distorted water-like geometry to one Zn2+ and two H+0.75+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a distorted water-like geometry to one Zn2+ and two H+0.75+ atoms. There is one shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the fourth N3- site, N3- is bonded in a distorted water-like geometry to one Zn2+ and two H+0.75+ atoms. There is one shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are eight inequivalent H+0.75+ sites. In the first H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. In the second H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. In the third H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. In the fourth H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. In the fifth H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. In the sixth H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. In the seventh H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. In the eighth H+0.75+ site, H+0.75+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a water-like geometry to two Zn2+ atoms. In the second Te4+ site, Te4+ is bonded in a water-like geometry to two Zn2+ atoms.

36 MATERIALS SCIENCE↗