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DOE OSTI · 1697469

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 two equivalent Mg atoms to form distorted corner-sharing CaMg2 cuboctahedra. Both Ca–Mg bond lengths are 3.49 Å. In the second Ca site, Ca is bonded in a 4-coordinate geometry to four equivalent Mg atoms. There are two shorter (3.47 Å) and two longer (3.48 Å) Ca–Mg bond lengths. Mg is bonded in a distorted body-centered cubic geometry to six Ca and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.07 Å.

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36 MATERIALS SCIENCECa-MgCa2Mgcrystal structure

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2020-05-02. Materials Data on Ca2Mg by Materials Project. https://doi.org/10.17188/1697469

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