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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on In2Bi by Materials Project

In2Bi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to two equivalent In and six equivalent Bi atoms. Both In–In bond lengths are 3.34 Å. All In–Bi bond lengths are 3.63 Å. In the second In site, In is bonded to five equivalent Bi atoms to form a mixture of edge and corner-sharing InBi5 trigonal bipyramids. There are three shorter (3.22 Å) and two longer (3.34 Å) In–Bi bond lengths. Bi is bonded to eleven In atoms to form a mixture of distorted face and corner-sharing BiIn11 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2Bi by Materials Project

In2Bi crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. In is bonded in a 5-coordinate geometry to five equivalent In and six equivalent Bi atoms. There are three shorter (3.24 Å) and two longer (3.31 Å) In–In bond lengths. All In–Bi bond lengths are 3.64 Å. Bi is bonded in a 2-coordinate geometry to twelve equivalent In and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2Bi by Materials Project

In2Bi crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. In is bonded in a 8-coordinate geometry to six equivalent In and two equivalent Bi atoms. There are four shorter (3.34 Å) and two longer (3.48 Å) In–In bond lengths. Both In–Bi bond lengths are 3.52 Å. Bi is bonded in a distorted body-centered cubic geometry to four equivalent In and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In4Bi by Materials Project

(In)2In2Bi crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two In sheets oriented in the (0, 0, 1) direction and one In2Bi sheet oriented in the (0, 0, 1) direction. In each In sheet, In is bonded in a 8-coordinate geometry to four equivalent In atoms. All In–In bond lengths are 3.25 Å. In the In2Bi sheet, In is bonded in a 8-coordinate geometry to four equivalent In and two equivalent Bi atoms. All In–In bond lengths are 3.25 Å. Both In–Bi bond lengths are 3.56 Å. Bi is bonded in a 8-coordinate geometry to four equivalent In and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.25 Å.

36 MATERIALS SCIENCE↗