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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuMn5 by Materials Project

LuMn5 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to sixteen Mn atoms. There are a spread of Lu–Mn bond distances ranging from 2.81–2.98 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Lu and nine Mn atoms to form a mixture of distorted corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.36–2.89 Å. In the second Mn site, Mn is bonded to three equivalent Lu and nine Mn atoms to form a mixture of corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. All Mn–Mn bond lengths are 2.86 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Lu and twelve Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Mn23 by Materials Project

Lu6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Lu–Mn bond distances ranging from 2.90–3.01 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Lu and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.57 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 2.49 Å. In the third Mn site, Mn is bonded to four equivalent Lu and eight Mn atoms to form a mixture of corner and face-sharing MnLu4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.59 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Lu and ten Mn atoms. All Mn–Mn bond lengths are 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuMn3 by Materials Project

LuMn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Mn atoms to form LuMn12 cuboctahedra that share corners with twelve equivalent LuMn12 cuboctahedra, edges with twenty-four equivalent MnLu4Mn8 cuboctahedra, faces with six equivalent LuMn12 cuboctahedra, and faces with twelve equivalent MnLu4Mn8 cuboctahedra. All Lu–Mn bond lengths are 2.86 Å. Mn is bonded to four equivalent Lu and eight equivalent Mn atoms to form MnLu4Mn8 cuboctahedra that share corners with twelve equivalent MnLu4Mn8 cuboctahedra, edges with eight equivalent LuMn12 cuboctahedra, edges with sixteen equivalent MnLu4Mn8 cuboctahedra, faces with four equivalent LuMn12 cuboctahedra, and faces with fourteen equivalent MnLu4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗