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Results for “Cl-N-S-Te”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TeS4(NCl)4 by Materials Project

(NS)4TeCl4 is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four TeCl4 clusters. In each TeCl4 cluster, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.48–2.54 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeS2(NCl)2 by Materials Project

TeS2(NCl)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two TeS2(NCl)2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to one Te4+ and one S2- atom. The N–Te bond length is 2.02 Å. The N–S bond length is 1.56 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.63 Å) N–S bond length. Te4+ is bonded in a 6-coordinate geometry to one N1+, one S2-, and four Cl1- atoms. The Te–S bond length is 2.50 Å. There are a spread of Te–Cl bond distances ranging from 2.53–3.38 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one N1+ and one Te4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Te4+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Te4+ atoms.

36 MATERIALS SCIENCE↗