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DOE OSTI2017

Materials Data on YMn2 by Materials Project

YMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Mn atoms. All Y–Y bond lengths are 3.14 Å. All Y–Mn bond lengths are 3.00 Å. Mn is bonded to six equivalent Y and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnY6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Materials Data on YMn2 by Materials Project

YMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y and twelve Mn atoms. There are a spread of Y–Y bond distances ranging from 3.11–3.15 Å. There are a spread of Y–Mn bond distances ranging from 2.99–3.01 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Y and six Mn atoms to form a mixture of corner, edge, and face-sharing MnY6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.56 Å. In the second Mn site, Mn is bonded to six equivalent Y and six Mn atoms to form a mixture of corner, edge, and face-sharing MnY6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.55–2.59 Å. In the third Mn site, Mn is bonded to six equivalent Y and six Mn atoms to form a mixture of corner, edge, and face-sharing MnY6Mn6 cuboctahedra.

36 MATERIALS SCIENCE↗