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10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on In5Bi3 by Materials Project

In5Bi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded to six Bi atoms to form corner-sharing InBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. There are four shorter (3.21 Å) and two longer (3.37 Å) In–Bi bond lengths. In the second In site, In is bonded in a 5-coordinate geometry to four equivalent In and five Bi atoms. There are a spread of In–In bond distances ranging from 3.35–3.48 Å. There are a spread of In–Bi bond distances ranging from 3.31–3.42 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to ten In atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight In atoms.

36 MATERIALS SCIENCE↗
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 InBi by Materials Project

InBi is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one InBi sheet oriented in the (0, 0, 1) direction. In is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing InBi4 tetrahedra. All In–Bi bond lengths are 3.18 Å. Bi is bonded in a 4-coordinate geometry to four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InBi by Materials Project

InBi is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. In is bonded to four equivalent Bi atoms to form corner-sharing InBi4 tetrahedra. All In–Bi bond lengths are 2.97 Å. Bi is bonded to four equivalent In atoms to form corner-sharing BiIn4 tetrahedra.

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 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↗
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 In3Bi by Materials Project

BiIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. In is bonded to eight equivalent In and four equivalent Bi atoms to form distorted InIn8Bi4 cuboctahedra that share corners with twelve equivalent InIn8Bi4 cuboctahedra, edges with eight equivalent BiIn12 cuboctahedra, edges with sixteen equivalent InIn8Bi4 cuboctahedra, faces with four equivalent BiIn12 cuboctahedra, and faces with fourteen equivalent InIn8Bi4 cuboctahedra. All In–In bond lengths are 3.48 Å. All In–Bi bond lengths are 3.48 Å. Bi is bonded to twelve equivalent In atoms to form BiIn12 cuboctahedra that share corners with twelve equivalent BiIn12 cuboctahedra, edges with twenty-four equivalent InIn8Bi4 cuboctahedra, faces with six equivalent BiIn12 cuboctahedra, and faces with twelve equivalent InIn8Bi4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InBi3 by Materials Project

InBi3 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. In is bonded in a 6-coordinate geometry to two equivalent In and four equivalent Bi atoms. Both In–In bond lengths are 3.30 Å. All In–Bi bond lengths are 3.25 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six Bi atoms to form distorted corner-sharing BiBi6 pentagonal pyramids. There are four shorter (3.29 Å) and two longer (3.30 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent In and four Bi atoms. Both Bi–Bi bond lengths are 3.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InBi by Materials Project

InBi is Tetraauricupride structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. In is bonded to four equivalent In and eight equivalent Bi atoms to form InIn4Bi8 cuboctahedra that share corners with twelve equivalent InIn4Bi8 cuboctahedra, edges with eight equivalent InIn4Bi8 cuboctahedra, edges with sixteen equivalent BiIn8Bi4 cuboctahedra, faces with eight equivalent BiIn8Bi4 cuboctahedra, and faces with ten equivalent InIn4Bi8 cuboctahedra. All In–In bond lengths are 3.44 Å. There are four shorter (3.53 Å) and four longer (3.57 Å) In–Bi bond lengths. Bi is bonded to eight equivalent In and four equivalent Bi atoms to form BiIn8Bi4 cuboctahedra that share corners with twelve equivalent BiIn8Bi4 cuboctahedra, edges with eight equivalent BiIn8Bi4 cuboctahedra, edges with sixteen equivalent InIn4Bi8 cuboctahedra, faces with eight equivalent InIn4Bi8 cuboctahedra, and faces with ten equivalent BiIn8Bi4 cuboctahedra. All Bi–Bi bond lengths are 3.44 Å.

36 MATERIALS SCIENCE↗