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At least 19 records
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DOE OSTI2020

Materials Data on Mg3Bi2 by Materials Project

Mg3Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Bi atoms to form distorted MgBi4 tetrahedra that share corners with six equivalent MgBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent MgBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 9–59°. There are three shorter (2.95 Å) and one longer (3.04 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded to six equivalent Bi atoms to form MgBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent MgBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Mg–Bi bond lengths are 3.18 Å. Bi is bonded to seven Mg atoms to form a mixture of distorted corner and edge-sharing BiMg7 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Bi atoms. There are one shorter (3.06 Å) and two longer (3.15 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.24–3.31 Å. Bi is bonded in a 8-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi by Materials Project

MgBi crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.06–3.32 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.03–3.29 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Mg atoms. In the second Bi site, Bi is bonded in a 5-coordinate geometry to five Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Bi by Materials Project

Mg5Bi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Bi atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with two equivalent BiMg10 cuboctahedra, corners with twenty MgMg10Bi2 cuboctahedra, edges with four equivalent BiMg10 cuboctahedra, edges with ten MgMg7Bi3 cuboctahedra, faces with three equivalent BiMg10 cuboctahedra, and faces with seventeen MgMg10Bi2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.34 Å. Both Mg–Bi bond lengths are 3.34 Å. In the second Mg site, Mg is bonded to seven Mg and three equivalent Bi atoms to form distorted MgMg7Bi3 cuboctahedra that share corners with twenty-two MgMg10Bi2 cuboctahedra, edges with four equivalent BiMg10 cuboctahedra, edges with ten MgMg10Bi2 cuboctahedra, a faceface with one BiMg10 cuboctahedra, and faces with fifteen MgMg10Bi2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.25–3.31 Å. There are one shorter (3.18 Å) and two longer (3.26 Å) Mg–Bi bond lengths. In the third Mg site, Mg is bonded to ten Mg and two equivalent Bi atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eight equivalent BiMg10 cuboctahedra, corners with fourteen MgMg7Bi3 cuboctahedra, an edgeedge with one BiMg10 cuboctahedra, edges with thirteen MgMg10Bi2 cuboctahedra, faces with three equivalent BiMg10 cuboctahedra, and faces with seventeen MgMg10Bi2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.34 Å. Both Mg–Bi bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded to eleven Mg and one Bi atom to form distorted MgMg11Bi cuboctahedra that share corners with twenty MgMg10Bi2 cuboctahedra, edges with four equivalent BiMg10 cuboctahedra, edges with twelve MgMg10Bi2 cuboctahedra, faces with four equivalent BiMg10 cuboctahedra, and faces with sixteen MgMg10Bi2 cuboctahedra. There are two shorter (3.24 Å) and two longer (3.34 Å) Mg–Mg bond lengths. The Mg–Bi bond length is 3.29 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Bi atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with eight equivalent BiMg10 cuboctahedra, corners with twelve MgMg10Bi2 cuboctahedra, an edgeedge with one BiMg10 cuboctahedra, edges with fifteen MgMg10Bi2 cuboctahedra, faces with three equivalent BiMg10 cuboctahedra, and faces with seventeen MgMg10Bi2 cuboctahedra. Both Mg–Mg bond lengths are 3.34 Å. Both Mg–Bi bond lengths are 3.30 Å. Bi is bonded to ten Mg atoms to form distorted BiMg10 cuboctahedra that share corners with four equivalent BiMg10 cuboctahedra, corners with eighteen MgMg10Bi2 cuboctahedra, edges with fourteen MgMg10Bi2 cuboctahedra, faces with two equivalent BiMg10 cuboctahedra, and faces with fourteen MgMg10Bi2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi2 by Materials Project

Bi2Mg crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Bi2Mg sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.20–3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to two equivalent Mg atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi2 by Materials Project

Bi2Mg crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Bi2Mg ribbons oriented in the (0, 1, 0) direction. Mg is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.18–3.39 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Bi site, Bi is bonded in a 12-coordinate geometry to two equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to five equivalent Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.17–3.38 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Bi atoms. There are two shorter (3.28 Å) and two longer (3.30 Å) Mg–Bi bond lengths. Bi is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi2 by Materials Project

Bi2Mg crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Bi2Mg sheets oriented in the (1, 0, 0) direction. Mg is bonded in a distorted hexagonal planar geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.10–3.31 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Mg atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Bi by Materials Project

Mg3Bi is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Bi atoms to form distorted MgMg8Bi4 cuboctahedra that share corners with four equivalent MgMg8Bi4 cuboctahedra, corners with eight equivalent BiMg12 cuboctahedra, edges with twenty-four MgMg8Bi4 cuboctahedra, faces with six equivalent BiMg12 cuboctahedra, and faces with twelve MgMg8Bi4 cuboctahedra. All Mg–Mg bond lengths are 3.28 Å. All Mg–Bi bond lengths are 3.28 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Bi atoms to form distorted MgMg8Bi4 cuboctahedra that share corners with twelve equivalent MgMg8Bi4 cuboctahedra, edges with eight equivalent BiMg12 cuboctahedra, edges with sixteen MgMg8Bi4 cuboctahedra, faces with four equivalent BiMg12 cuboctahedra, and faces with fourteen MgMg8Bi4 cuboctahedra. All Mg–Mg bond lengths are 3.28 Å. All Mg–Bi bond lengths are 3.28 Å. Bi is bonded to twelve Mg atoms to form BiMg12 cuboctahedra that share corners with four equivalent BiMg12 cuboctahedra, corners with eight equivalent MgMg8Bi4 cuboctahedra, edges with eight equivalent BiMg12 cuboctahedra, edges with sixteen equivalent MgMg8Bi4 cuboctahedra, faces with four equivalent BiMg12 cuboctahedra, and faces with fourteen MgMg8Bi4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Mg and four equivalent Bi atoms to form distorted MgMg2Bi4 cuboctahedra that share corners with twelve equivalent BiMg9 cuboctahedra, corners with sixteen MgMg2Bi4 cuboctahedra, edges with ten MgMg2Bi4 cuboctahedra, and faces with two equivalent MgMg2Bi4 cuboctahedra. Both Mg–Mg bond lengths are 3.30 Å. There are two shorter (3.28 Å) and two longer (3.33 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Bi atoms to form distorted MgMg6Bi6 cuboctahedra that share corners with six equivalent BiMg9 cuboctahedra, corners with eighteen MgMg2Bi4 cuboctahedra, edges with six equivalent BiMg9 cuboctahedra, edges with eighteen MgMg2Bi4 cuboctahedra, and faces with two equivalent BiMg9 cuboctahedra. All Mg–Bi bond lengths are 3.35 Å. Bi is bonded to nine Mg atoms to form distorted BiMg9 cuboctahedra that share corners with eighteen equivalent BiMg9 cuboctahedra, corners with twenty-one MgMg2Bi4 cuboctahedra, edges with three equivalent MgMg6Bi6 cuboctahedra, a faceface with one MgMg6Bi6 cuboctahedra, and faces with four equivalent BiMg9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi5 by Materials Project

MgBi5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Mg is bonded to twelve Bi atoms to form a mixture of edge and corner-sharing MgBi12 cuboctahedra. There are a spread of Mg–Bi bond distances ranging from 3.44–3.56 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted bent 150 degrees geometry to two equivalent Mg and four Bi atoms. There are two shorter (3.39 Å) and two longer (3.63 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted bent 150 degrees geometry to two equivalent Mg and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.40–3.64 Å. In the third Bi site, Bi is bonded in a 12-coordinate geometry to three equivalent Mg and nine Bi atoms. There are one shorter (3.54 Å) and two longer (3.55 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a 12-coordinate geometry to three equivalent Mg and nine Bi atoms. In the fifth Bi site, Bi is bonded in a 12-coordinate geometry to three equivalent Mg and nine Bi atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing MgMg6Bi6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.39 Å. There are four shorter (3.37 Å) and two longer (3.44 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and two equivalent Bi atoms. Both Mg–Bi bond lengths are 3.22 Å. Bi is bonded in a 12-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi2 by Materials Project

Bi2Mg crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Bi2Mg sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.08–3.22 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to two equivalent Mg atoms. In the second Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Bi by Materials Project

Mg3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Bi atoms to form distorted MgMg8Bi4 cuboctahedra that share corners with twelve equivalent MgMg8Bi4 cuboctahedra, edges with eight equivalent BiMg12 cuboctahedra, edges with sixteen equivalent MgMg8Bi4 cuboctahedra, faces with four equivalent BiMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Bi4 cuboctahedra. All Mg–Mg bond lengths are 3.27 Å. All Mg–Bi bond lengths are 3.27 Å. Bi is bonded to twelve equivalent Mg atoms to form BiMg12 cuboctahedra that share corners with twelve equivalent BiMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Bi4 cuboctahedra, faces with six equivalent BiMg12 cuboctahedra, and faces with twelve equivalent MgMg8Bi4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi by Materials Project

MgBi is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Mg–Bi bond lengths are 3.16 Å. Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi by Materials Project

MgBi is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.27–3.50 Å. Bi is bonded in a 12-coordinate geometry to eight equivalent Mg and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.27 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two BiMg2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to four equivalent Bi atoms. All Mg–Bi bond lengths are 3.27 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Bi atoms. Both Mg–Bi bond lengths are 3.15 Å. Bi is bonded in a 6-coordinate geometry to six Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi2 by Materials Project

Bi2Mg crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Bi2Mg sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.16–3.32 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to two equivalent Mg atoms. In the second Bi site, Bi is bonded in a 10-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗