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DOE OSTI2020

Materials Data on YbNi2Sn by Materials Project

YbNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Yb–Ni bond lengths are 2.76 Å. All Yb–Sn bond lengths are 3.19 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.76 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Pt4 by Materials Project

Yb3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb+2.67+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Yb–Pt bond distances ranging from 2.83–3.20 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted octahedral geometry to six equivalent Yb+2.67+ atoms. In the second Pt2- site, Pt2- is bonded in a 7-coordinate geometry to seven equivalent Yb+2.67+ and three equivalent Pt2- atoms. There are one shorter (2.86 Å) and two longer (2.94 Å) Pt–Pt bond lengths. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six equivalent Yb+2.67+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on YbSbPd by Materials Project

YbPdSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded to four equivalent Pd and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing YbSb6Pd4 tetrahedra. All Yb–Pd bond lengths are 2.87 Å. All Yb–Sb bond lengths are 3.32 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.87 Å. Sb is bonded in a distorted q6 geometry to six equivalent Yb and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2In8Ir by Materials Project

Yb2IrIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve In atoms to form YbIn12 cuboctahedra that share corners with eight equivalent YbIn12 cuboctahedra, edges with twelve InYb4In8 cuboctahedra, faces with five equivalent YbIn12 cuboctahedra, and faces with eight InYb4In8 cuboctahedra. There are a spread of Yb–In bond distances ranging from 3.23–3.32 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.23 Å. In the second In site, In is bonded to four equivalent Yb and eight In atoms to form distorted InYb4In8 cuboctahedra that share corners with eight equivalent InYb4In8 cuboctahedra, edges with four equivalent YbIn12 cuboctahedra, edges with eight equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with nine InYb4In8 cuboctahedra. All In–In bond lengths are 3.33 Å. In the third In site, In is bonded to four equivalent Yb and eight In atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent InYb4In8 cuboctahedra, edges with eight equivalent YbIn12 cuboctahedra, edges with eight equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with twelve InYb4In8 cuboctahedra. All In–In bond lengths are 3.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbFeGe by Materials Project

YbFeGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to six equivalent Fe and five equivalent Ge atoms. There are a spread of Yb–Fe bond distances ranging from 2.89–3.60 Å. There are a spread of Yb–Ge bond distances ranging from 2.98–3.08 Å. Fe is bonded in a 3-coordinate geometry to six equivalent Yb, two equivalent Fe, and three equivalent Ge atoms. Both Fe–Fe bond lengths are 2.49 Å. There are two shorter (2.40 Å) and one longer (2.42 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Yb, three equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb6Fe23 by Materials Project

Yb6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Yb–Fe bond distances ranging from 2.86–3.02 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Yb and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.61 Å. In the third Fe site, Fe is bonded to four equivalent Yb and eight Fe atoms to form a mixture of corner and face-sharing FeYb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Yb and ten Fe atoms. All Fe–Fe bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Ca2YbF7 by Materials Project

Ca2YbF7 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ca2YbF7 sheet oriented in the (1, 1, -1) direction. there are ten inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 3-coordinate geometry to five F1- atoms. There are a spread of Ca–F bond distances ranging from 1.74–3.00 Å. In the second Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to five F1- atoms. There are a spread of Ca–F bond distances ranging from 1.64–2.64 Å. In the third Ca2+ site, Ca2+ is bonded in a distorted bent 150 degrees geometry to four F1- atoms. There are a spread of Ca–F bond distances ranging from 1.50–2.67 Å. In the fourth Ca2+ site, Ca2+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Ca–F bond distances ranging from 1.68–2.40 Å. In the fifth Ca2+ site, Ca2+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Ca–F bond distances ranging from 1.70–2.42 Å. In the sixth Ca2+ site, Ca2+ is bonded in a distorted bent 150 degrees geometry to four F1- atoms. There are a spread of Ca–F bond distances ranging from 1.49–2.65 Å. In the seventh Ca2+ site, Ca2+ is bonded in a distorted linear geometry to two F1- atoms. There is one shorter (1.49 Å) and one longer (1.51 Å) Ca–F bond length. In the eighth Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to two F1- atoms. There is one shorter (1.65 Å) and one longer (1.90 Å) Ca–F bond length. In the ninth Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to six F1- atoms. There are a spread of Ca–F bond distances ranging from 1.68–2.99 Å. In the tenth Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Ca–F bond distances ranging from 1.73–3.08 Å. There are five inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three F1- atoms. There are a spread of Yb–F bond distances ranging from 1.47–2.11 Å. In the second Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Yb–F bond distances ranging from 1.63–2.98 Å. In the third Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Yb–F bond distances ranging from 1.65–2.81 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three F1- atoms. There are a spread of Yb–F bond distances ranging from 1.46–2.11 Å. In the fifth Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Yb–F bond distances ranging from 1.63–2.93 Å. There are thirty-five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Yb3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Yb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Yb3+ atom. In the seventh F1- site, F1- is bonded in a 12-coordinate geometry to three Ca2+, three Yb3+, and six F1- atoms. There are a spread of F–F bond distances ranging from 2.23–2.98 Å. In the eighth F1- site, F1- is bonded in a distorted L-shaped geometry to one Ca2+ and one Yb3+ atom. In the ninth F1- site, F1- is bonded in a distorted L-shaped geometry to two Ca2+ atoms. In the tenth F1- site, F1- is bonded in a 2-coordinate geometry to two Ca2+ atoms. In the eleventh F1- site, F1- is bonded in a 2-coordinate geometry to two Ca2+ and one F1- atom. In the twelfth F1- site, F1- is bonded in a distorted water-like geometry to two Ca2+ atoms. In the thirteenth F1- site, F1- is bonded in a distorted single-bond geometry to two Ca2+ atoms. In the fourteenth F1- site, F1- is bonded in a 2-coordinate geometry to two Yb3+ and one F1- atom. In the fifteenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one Yb3+ atom. In the sixteenth F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ and one F1- atom. The F–F bond length is 2.48 Å. In the seventeenth F1- site, F1- is bonded in a 1-coordinate geometry to one Ca2+ atom. In the eighteenth F1- site, F1- is bonded in a 2-coordinate geometry to two Yb3+ and one F1- atom. In the nineteenth F1- site, F1- is bonded in a 1-coordinate geometry to one Ca2+ atom. In the twentieth F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ atom. In the twenty-first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one Yb3+ atom. In the twenty-second F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ atom. In the twenty-third F1- site, F1- is bonded in a distorted water-like geometry to two Ca2+ atoms. In the twenty-fourth F1- site, F1- is bonded in a 1-coordinate geometry to three Ca2+ and three F1- atoms. The F–F bond length is 2.11 Å. In the twenty-fifth F1- site, F1- is bonded in a distorted L-shaped geometry to one Ca2+ and one Yb3+ atom. In the twenty-sixth F1- site, F1- is bonded in a distorted L-shaped geometry to two Ca2+ and one F1- atom. In the twenty-seventh F1- site, F1- is bonded in a distorted L-shaped geometry to one Ca2+ and one Yb3+ atom. In the twenty-eighth F1- site, F1- is bonded in a single-bond geometry to one Ca2+ atom. In the twenty-ninth F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ and one Yb3+ atom. In the thirtieth F1- site, F1- is bonded in a distorted single-bond geometry to one Yb3+ atom. In the thirty-first F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ atom. In the thirty-second F1- site, F1- is bonded in a 2-coordinate geometry to one Ca2+, one Yb3+, and one F1- atom. In the thirty-third F1- site, F1- is bonded in a distorted single-bond geometry to two Ca2+ atoms. In the thirty-fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Ca2+ atom. In the thirty-fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Ca2+, one Yb3+, and one F1- atom.

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Materials Data on Yb2CdGe by Materials Project

Yb2CdGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Ge atoms. All Yb–Cd bond lengths are 3.18 Å. All Yb–Ge bond lengths are 3.18 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2TlPb by Materials Project

Yb2TlPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Tl and four equivalent Pb atoms. All Yb–Tl bond lengths are 3.37 Å. All Yb–Pb bond lengths are 3.37 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2TlCd by Materials Project

Yb2CdTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All Yb–Cd bond lengths are 3.31 Å. All Yb–Tl bond lengths are 3.31 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiYb2Ga by Materials Project

LiYb2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.21 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Yb–Ga bond lengths are 3.21 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2MgIn by Materials Project

MgYb2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Mg–Yb bond lengths are 3.34 Å. Yb is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent In atoms. All Yb–In bond lengths are 3.34 Å. In is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiYb2Ir by Materials Project

LiYb2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.01 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Yb–Ir bond lengths are 3.01 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiYb2Rh by Materials Project

LiYb2Rh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.02 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Yb–Rh bond lengths are 3.02 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiYb2Tl by Materials Project

LiYb2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.33 Å. Yb is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Yb–Tl bond lengths are 3.33 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiYb2Pd by Materials Project

LiYb2Pd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.11 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms. All Yb–Pd bond lengths are 3.11 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiYb2Hg by Materials Project

LiYb2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.28 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Hg atoms. All Yb–Hg bond lengths are 3.28 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2PdPt by Materials Project

Yb2PtPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Pd atoms. All Yb–Pt bond lengths are 2.98 Å. All Yb–Pd bond lengths are 2.98 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗