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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↗

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↗

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Bi atoms to form distorted MgMg8Bi4 cuboctahedra that share corners with eighteen equivalent MgMg8Bi4 cuboctahedra, edges with eight equivalent BiMg9Bi3 cuboctahedra, edges with ten MgMg8Bi4 cuboctahedra, faces with eight equivalent BiMg9Bi3 cuboctahedra, and faces with twelve MgMg8Bi4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.31–3.36 Å. All Mg–Bi bond lengths are 3.33 Å. 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 eighteen equivalent BiMg9Bi3 cuboctahedra, edges with eighteen MgMg8Bi4 cuboctahedra, faces with six equivalent BiMg9Bi3 cuboctahedra, and faces with fourteen MgMg8Bi4 cuboctahedra. All Mg–Bi bond lengths are 3.34 Å. Bi is bonded to nine Mg and three equivalent Bi atoms to form distorted BiMg9Bi3 cuboctahedra that share corners with nine equivalent MgMg6Bi6 cuboctahedra, corners with nine equivalent BiMg9Bi3 cuboctahedra, edges with six equivalent BiMg9Bi3 cuboctahedra, edges with twelve equivalent MgMg8Bi4 cuboctahedra, faces with five equivalent BiMg9Bi3 cuboctahedra, and faces with fifteen MgMg8Bi4 cuboctahedra. All Bi–Bi bond lengths are 3.34 Å.

36 MATERIALS SCIENCE↗

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↗

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↗

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↗

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 in a 12-coordinate geometry to six Mg and six equivalent Bi atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.47 Å. There are two shorter (3.26 Å) and four longer (3.41 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent Bi atoms. There are two shorter (3.32 Å) and four longer (3.46 Å) Mg–Mg bond lengths. There are two shorter (3.25 Å) and two longer (3.38 Å) Mg–Bi bond lengths. Bi is bonded to ten Mg and two equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing BiMg10Bi2 cuboctahedra. Both Bi–Bi bond lengths are 3.32 Å.

36 MATERIALS SCIENCE↗

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one BiMg2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Bi atoms. There are one shorter (3.30 Å) and two longer (3.37 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Bi atoms. There are two shorter (3.27 Å) and two longer (3.35 Å) Mg–Bi bond lengths. Bi is bonded in a 12-coordinate geometry to seven Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to seven equivalent Mg and five equivalent Bi atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.40 Å. There are a spread of Mg–Bi bond distances ranging from 3.21–3.39 Å. Bi is bonded in a 12-coordinate geometry to ten equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg2Bi by Materials Project

BiMg2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three Bi atoms. There are one shorter (3.14 Å) and two longer (3.24 Å) Mg–Bi bond lengths. In the second 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 3.20–3.42 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.15–3.37 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to four Bi atoms. All Mg–Bi bond lengths are 3.22 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to eight Mg atoms. In the second Bi site, Bi is bonded in a 10-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗