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Materials Data on Mg2Pb by Materials Project

Mg2Pb is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to four equivalent Pb atoms to form a mixture of edge and corner-sharing MgPb4 tetrahedra. All Mg–Pb bond lengths are 3.00 Å. Pb is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

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Materials Data on MgPb3 by Materials Project

MgPb3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six equivalent Pb atoms. All Mg–Pb bond lengths are 3.26 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Pb atoms. All Pb–Pb bond lengths are 3.59 Å. In the second Pb site, Pb is bonded to twelve Pb atoms to form a mixture of face, edge, and corner-sharing PbPb12 cuboctahedra. All Pb–Pb bond lengths are 3.55 Å.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Pb by Materials Project

Mg3Pb 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 in a distorted square co-planar geometry to four equivalent Pb atoms. All Mg–Pb bond lengths are 3.23 Å. In the second Mg site, Mg is bonded to four equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb4 cuboctahedra. All Mg–Pb bond lengths are 3.26 Å. Pb is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing PbMg12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on MgPb2 by Materials Project

MgPb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgPb2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.19–3.34 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Pb site, Pb is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPb2 by Materials Project

MgPb2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two MgPb2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a 12-coordinate geometry to six equivalent Pb atoms. All Mg–Pb bond lengths are 3.20 Å. Pb is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPb2 by Materials Project

MgPb2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to nine Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.05–3.47 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to five equivalent Mg atoms. In the second Pb site, Pb is bonded to four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing PbMg4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Pb by Materials Project

Mg5Pb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with fourteen MgMg12 cuboctahedra, edges with eight equivalent PbMg10 cuboctahedra, faces with two equivalent PbMg10 cuboctahedra, and faces with four equivalent MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.34 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Pb atoms. All Mg–Pb bond lengths are 3.25 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.23 Å. In the fourth Mg site, Mg is bonded to four equivalent Mg and two equivalent Pb atoms to form distorted MgMg4Pb2 cuboctahedra that share corners with twelve MgMg12 cuboctahedra, edges with two equivalent MgMg4Pb2 cuboctahedra, and faces with two equivalent MgMg4Pb2 cuboctahedra. Both Mg–Pb bond lengths are 3.30 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.25 Å. Pb is bonded to ten Mg atoms to form distorted PbMg10 cuboctahedra that share corners with four equivalent PbMg10 cuboctahedra, edges with eight equivalent MgMg12 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, and faces with four equivalent PbMg10 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Pb by Materials Project

Mg3Pb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a distorted see-saw-like geometry to four equivalent Pb atoms. All Mg–Pb bond lengths are 3.26 Å. Pb is bonded to twelve equivalent Mg atoms to form a mixture of corner and face-sharing PbMg12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on MgPb3 by Materials Project

MgPb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two MgPb3 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a distorted hexagonal planar geometry to six equivalent Pb atoms. All Mg–Pb bond lengths are 3.34 Å. Pb is bonded in a distorted linear geometry to two equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg2Pb by Materials Project

Mg2Pb is Cotunnite structured and crystallizes in the orthorhombic Pnma 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 equivalent Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.05–3.37 Å. In the second Mg site, Mg is bonded to four equivalent Pb atoms to form a mixture of distorted edge and corner-sharing MgPb4 tetrahedra. There are a spread of Mg–Pb bond distances ranging from 2.89–3.04 Å. Pb is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPb5 by Materials Project

MgPb5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgPb5 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 10-coordinate geometry to ten Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.33–3.55 Å. There are five inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Pb atoms. Both Pb–Pb bond lengths are 3.40 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to two equivalent Mg and one Pb atom. The Pb–Pb bond length is 3.41 Å. In the third Pb site, Pb is bonded in a distorted single-bond geometry to one Mg and two equivalent Pb atoms. Both Pb–Pb bond lengths are 3.38 Å. In the fourth Pb site, Pb is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the fifth Pb site, Pb is bonded in a 12-coordinate geometry to three equivalent Mg and five Pb atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPb2 by Materials Project

MgPb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six Pb atoms. There are three shorter (3.22 Å) and three longer (3.26 Å) Mg–Pb bond lengths. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Pb atoms. All Pb–Pb bond lengths are 3.60 Å. In the second Pb site, Pb is bonded to twelve Pb atoms to form a mixture of corner, edge, and face-sharing PbPb12 cuboctahedra. All Pb–Pb bond lengths are 3.52 Å. In the third Pb site, Pb is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Pb by Materials Project

Mg5Pb 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 in a distorted bent 150 degrees geometry to two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.24 Å. In the second Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Pb atoms. All Mg–Pb bond lengths are 3.25 Å. Pb is bonded to twelve Mg atoms to form a mixture of corner and edge-sharing PbMg12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Pb by Materials Project

Mg5Pb crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Mg5Pb sheet oriented in the (0, 0, 1) direction. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the second Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to one Pb atom. The Mg–Pb bond length is 3.25 Å. In the fourth Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.26 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Pb atoms. There are one shorter (3.18 Å) and two longer (3.24 Å) Mg–Pb bond lengths. Pb is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPb2 by Materials Project

MgPb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MgPb2 sheets oriented in the (1, 0, 0) direction. Mg is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.24–3.38 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗