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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErMn12 by Materials Project

ErMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Er–Mn bond distances ranging from 2.98–3.16 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Er and ten Mn atoms to form a mixture of distorted corner, edge, and face-sharing MnEr2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.66 Å. In the second Mn site, Mn is bonded to two equivalent Er and ten Mn atoms to form a mixture of distorted corner, edge, and face-sharing MnEr2Mn10 cuboctahedra. There are two shorter (2.31 Å) and four longer (2.55 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded in a 1-coordinate geometry to one Er and thirteen Mn atoms. There are one shorter (2.29 Å) and four longer (2.82 Å) Mn–Mn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErMn2 by Materials Project

ErMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er and twelve equivalent Mn atoms. All Er–Er bond lengths are 3.11 Å. All Er–Mn bond lengths are 2.98 Å. Mn is bonded to six equivalent Er and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErMn2 by Materials Project

ErMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Er–Er bond distances ranging from 3.06–3.19 Å. There are a spread of Er–Mn bond distances ranging from 2.90–3.13 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are one shorter (3.14 Å) and two longer (3.16 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.90–3.08 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.64 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are four shorter (2.48 Å) and two longer (2.66 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.56 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are one shorter (2.58 Å) and one longer (2.69 Å) Mn–Mn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er6Mn23 by Materials Project

Er6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Er–Mn bond distances ranging from 2.92–3.04 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Er and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.45–2.58 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.52 Å. In the third Mn site, Mn is bonded to four equivalent Er and eight Mn atoms to form a mixture of face and corner-sharing MnEr4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.61 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Er and ten Mn atoms. All Mn–Mn bond lengths are 2.91 Å.

36 MATERIALS SCIENCE↗