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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SeCl by Materials Project

SeCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 10025-68-0 molecules. there are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted water-like geometry to one Se and one Cl atom. The Se–Se bond length is 2.24 Å. The Se–Cl bond length is 2.26 Å. In the second Se site, Se is bonded in a distorted water-like geometry to one Se and one Cl atom. The Se–Cl bond length is 2.26 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Se atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SeCl4 by Materials Project

SeCl4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four SeCl4 clusters. there are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded to six Cl1- atoms to form edge-sharing SeCl6 octahedra. There are a spread of Se–Cl bond distances ranging from 2.22–2.80 Å. In the second Se4+ site, Se4+ is bonded to six Cl1- atoms to form distorted edge-sharing SeCl6 octahedra. There are a spread of Se–Cl bond distances ranging from 2.21–2.84 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Se4+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the eighth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Se4+ atoms.

36 MATERIALS SCIENCE↗