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DOE OSTI · 1739719

Materials Data on Ca2Mg by Materials Project

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Abstract

Ca2Mg crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ca2Mg sheet oriented in the (0, 0, 1) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to three equivalent Mg atoms to form a mixture of distorted edge and corner-sharing CaMg3 cuboctahedra. There are one shorter (3.41 Å) and two longer (3.49 Å) Ca–Mg bond lengths. In the second Ca site, Ca is bonded in a 4-coordinate geometry to four equivalent Mg atoms. There are two shorter (3.50 Å) and two longer (3.54 Å) Ca–Mg bond lengths. Mg is bonded in a 9-coordinate geometry to seven Ca and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.40 Å.

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36 MATERIALS SCIENCECa-MgCa2Mgcrystal structure

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2020-05-03. Materials Data on Ca2Mg by Materials Project. https://doi.org/10.17188/1739719

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