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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb3Mn by Materials Project

Yb3Mn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Yb and four equivalent Mn atoms to form a mixture of distorted edge, corner, and face-sharing YbYb4Mn4 tetrahedra. All Yb–Yb bond lengths are 3.39 Å. All Yb–Mn bond lengths are 3.39 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight equivalent Yb and six equivalent Mn atoms. All Yb–Mn bond lengths are 3.91 Å. Mn is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbMn2 by Materials Project

YbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Yb and twelve Mn atoms. There are one shorter (3.34 Å) and three longer (3.37 Å) Yb–Yb bond lengths. There are a spread of Yb–Mn bond distances ranging from 3.22–3.25 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Yb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnYb6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.68 Å. In the second Mn site, Mn is bonded to six equivalent Yb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnYb6Mn6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.93 Å) Mn–Mn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb6Mn23 by Materials Project

Yb6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Yb–Mn bond distances ranging from 2.97–3.12 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Yb and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.52–2.69 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 2.55 Å. In the third Mn site, Mn is bonded to four equivalent Yb and eight Mn atoms to form a mixture of corner and face-sharing MnYb4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.70 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Yb and ten Mn atoms. All Mn–Mn bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb4Mn3 by Materials Project

Yb4Mn3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven Mn atoms. There are a spread of Yb–Mn bond distances ranging from 3.00–3.46 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to seven Mn atoms. There are a spread of Yb–Mn bond distances ranging from 3.01–3.45 Å. In the third Yb site, Yb is bonded in a 7-coordinate geometry to seven Mn atoms. There are a spread of Yb–Mn bond distances ranging from 3.01–3.46 Å. In the fourth Yb site, Yb is bonded in a 4-coordinate geometry to four Mn atoms. There are a spread of Yb–Mn bond distances ranging from 3.08–3.28 Å. In the fifth Yb site, Yb is bonded in a 4-coordinate geometry to four Mn atoms. There are a spread of Yb–Mn bond distances ranging from 3.08–3.28 Å. In the sixth Yb site, Yb is bonded in a 4-coordinate geometry to four Mn atoms. There are a spread of Yb–Mn bond distances ranging from 3.08–3.28 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six Yb and three Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.45 Å. In the second Mn site, Mn is bonded in a 9-coordinate geometry to eight Yb and one Mn atom. In the third Mn site, Mn is bonded in a 9-coordinate geometry to eight Yb and one Mn atom. In the fourth Mn site, Mn is bonded in a 9-coordinate geometry to eight Yb and one Mn atom. In the fifth Mn site, Mn is bonded in a 6-coordinate geometry to six Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbMn3 by Materials Project

YbMn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Mn atoms to form YbMn12 cuboctahedra that share corners with twelve equivalent YbMn12 cuboctahedra, edges with twenty-four equivalent MnYb4Mn8 cuboctahedra, faces with six equivalent YbMn12 cuboctahedra, and faces with twelve equivalent MnYb4Mn8 cuboctahedra. All Yb–Mn bond lengths are 2.87 Å. Mn is bonded to four equivalent Yb and eight equivalent Mn atoms to form distorted MnYb4Mn8 cuboctahedra that share corners with twelve equivalent MnYb4Mn8 cuboctahedra, edges with eight equivalent YbMn12 cuboctahedra, edges with sixteen equivalent MnYb4Mn8 cuboctahedra, faces with four equivalent YbMn12 cuboctahedra, and faces with fourteen equivalent MnYb4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗