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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SeBr by Materials Project

SeBr crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four selenium bromide (se2br2) molecules. there are two inequivalent Se sites. In the first Se site, Se is bonded in a water-like geometry to one Se and one Br atom. The Se–Se bond length is 2.24 Å. The Se–Br bond length is 2.42 Å. In the second Se site, Se is bonded in a water-like geometry to one Se and one Br atom. The Se–Br bond length is 2.44 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Se atom. In the second Br site, Br is bonded in a single-bond geometry to one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SeBr by Materials Project

SeBr crystallizes in the orthorhombic Aea2 space group. The structure is zero-dimensional and consists of four selenium bromide (se2br2) molecules. Se is bonded in a distorted water-like geometry to one Se and one Br atom. The Se–Se bond length is 2.27 Å. The Se–Br bond length is 2.42 Å. Br is bonded in a single-bond geometry to one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SeBr4 by Materials Project

SeBr4 is alpha La structured and crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of four SeBr4 clusters. there are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six Br+0.50+ atoms to form distorted edge-sharing SeBr6 octahedra. There are a spread of Se–Br bond distances ranging from 2.40–3.00 Å. In the second Se2- site, Se2- is bonded to six Br+0.50+ atoms to form distorted edge-sharing SeBr6 octahedra. There are three shorter (2.40 Å) and three longer (2.97 Å) Se–Br bond lengths. There are six inequivalent Br+0.50+ sites. In the first Br+0.50+ site, Br+0.50+ is bonded in a single-bond geometry to one Se2- atom. In the second Br+0.50+ site, Br+0.50+ is bonded in a distorted T-shaped geometry to three equivalent Se2- atoms. In the third Br+0.50+ site, Br+0.50+ is bonded in a single-bond geometry to one Se2- atom. In the fourth Br+0.50+ site, Br+0.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. In the fifth Br+0.50+ site, Br+0.50+ is bonded in a single-bond geometry to one Se2- atom. In the sixth Br+0.50+ site, Br+0.50+ is bonded in a single-bond geometry to one Se2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SeBr2 by Materials Project

SeBr2 crystallizes in the tetragonal P4_2/mnm space group. The structure is one-dimensional and consists of two SeBr2 ribbons oriented in the (0, 0, 1) direction. Se is bonded in a square co-planar geometry to four equivalent Br atoms. All Se–Br bond lengths are 2.62 Å. Br is bonded in an L-shaped geometry to two equivalent Se atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Se3Br by Materials Project

(Se)2SeBr crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Se sheets oriented in the (0, 0, 1) direction and two SeBr sheets oriented in the (0, 0, 1) direction. In each Se sheet, Se+1.67- is bonded in a square co-planar geometry to four equivalent Se+1.67- atoms. All Se–Se bond lengths are 2.69 Å. In each SeBr sheet, Se+1.67- is bonded in a square co-planar geometry to four equivalent Br5+ atoms. All Se–Br bond lengths are 2.69 Å. Br5+ is bonded in a square co-planar geometry to four equivalent Se+1.67- atoms.

36 MATERIALS SCIENCE↗