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DOE OSTI2020

Materials Data on TbNiGe2 by Materials Project

TbNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Tb–Ni bond lengths are 3.18 Å. There are a spread of Tb–Ge bond distances ranging from 3.12–3.24 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.30–2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Np5Ge4 by Materials Project

Np5Ge4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded in a 8-coordinate geometry to two equivalent Np and six equivalent Ge atoms. Both Np–Np bond lengths are 2.84 Å. All Np–Ge bond lengths are 3.04 Å. In the second Np site, Np is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Np–Ge bond distances ranging from 2.82–2.90 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Np and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.84 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Np atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdNiGe2 by Materials Project

NdNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Nd–Ni bond lengths are 3.24 Å. There are a spread of Nd–Ge bond distances ranging from 3.17–3.30 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.33–2.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3TiGe5 by Materials Project

U3TiGe5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of U–Ge bond distances ranging from 2.93–3.03 Å. Ti is bonded to six equivalent Ge atoms to form face-sharing TiGe6 octahedra. All Ti–Ge bond lengths are 2.65 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to five equivalent U and two equivalent Ti atoms to form a mixture of distorted edge, face, and corner-sharing GeU5Ti2 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Np5Ge3 by Materials Project

Np5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded in a 6-coordinate geometry to two equivalent Np and four equivalent Ge atoms. Both Np–Np bond lengths are 2.54 Å. All Np–Ge bond lengths are 2.96 Å. In the second Np site, Np is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Np–Ge bond distances ranging from 2.83–3.05 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to eight equivalent Np and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a distorted q6 geometry to ten Np atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Zn15Ge2 by Materials Project

Nd2Zn15Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to eighteen Zn and one Ge atom. There are a spread of Nd–Zn bond distances ranging from 3.22–3.46 Å. The Nd–Ge bond length is 3.04 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Nd, eight Zn, and two equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing ZnNd2Zn8Ge2 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.75 Å) Zn–Zn bond lengths. Both Zn–Ge bond lengths are 2.83 Å. In the second Zn site, Zn is bonded to two equivalent Nd, eight Zn, and two equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing ZnNd2Zn8Ge2 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.88 Å. Both Zn–Ge bond lengths are 3.15 Å. In the third Zn site, Zn is bonded to three equivalent Nd, eight Zn, and one Ge atom to form a mixture of distorted face, edge, and corner-sharing ZnNd3Zn8Ge cuboctahedra. Both Zn–Zn bond lengths are 2.58 Å. The Zn–Ge bond length is 2.99 Å. Ge is bonded in a 8-coordinate geometry to one Nd, twelve Zn, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr5Ge3 by Materials Project

Cr5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 7-coordinate geometry to one Cr and six Ge atoms. The Cr–Cr bond length is 2.46 Å. There are a spread of Cr–Ge bond distances ranging from 2.46–2.66 Å. In the second Cr site, Cr is bonded in a 6-coordinate geometry to two equivalent Cr and four equivalent Ge atoms. Both Cr–Cr bond lengths are 2.36 Å. All Cr–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Cr atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent Cr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb5Ge3 by Materials Project

Nb5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to one Nb and six Ge atoms. The Nb–Nb bond length is 2.97 Å. There are a spread of Nb–Ge bond distances ranging from 2.66–3.00 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to six Nb and two equivalent Ge atoms. Both Nb–Nb bond lengths are 2.58 Å. Both Nb–Ge bond lengths are 2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2Ge2O7 by Materials Project

Gd2Ge2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with six GeO4 tetrahedra, an edgeedge with one GdO7 pentagonal bipyramid, and an edgeedge with one GeO4 tetrahedra. There are a spread of Gd–O bond distances ranging from 2.27–2.63 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.59 Å. In the third Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.52 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.74 Å. In the fifth Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.68 Å. In the sixth Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.84 Å. In the seventh Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.34–2.67 Å. In the eighth Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.32–2.59 Å. In the ninth Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with six GeO4 tetrahedra, an edgeedge with one GdO7 pentagonal bipyramid, and an edgeedge with one GeO4 tetrahedra. There are a spread of Gd–O bond distances ranging from 2.27–2.63 Å. In the tenth Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.76 Å. In the eleventh Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.63 Å. In the twelfth Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.70 Å. There are twelve inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GdO7 pentagonal bipyramids and a cornercorner with one GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. In the second Ge4+ site, Ge4+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.75–1.90 Å. In the third Ge4+ site, Ge4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ge–O bond distances ranging from 1.74–2.43 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GdO7 pentagonal bipyramids and a cornercorner with one GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. In the fifth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GdO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. In the sixth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. In the seventh Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. In the eighth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two GdO7 pentagonal bipyramids, corners with two GeO4 tetrahedra, and an edgeedge with one GdO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. In the ninth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GdO7 pentagonal bipyramid and a cornercorner with one GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.88 Å. In the tenth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GdO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. In the eleventh Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GdO7 pentagonal bipyramid and a cornercorner with one GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.90 Å. In the twelfth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two GdO7 pentagonal bipyramids, corners with two GeO4 tetrahedra, and an edgeedge with one GdO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. There are forty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Ge4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Gd3+ and one Ge4+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Ge4+ atom. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Ge4+ atom. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Gd3+ and two Ge4+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+ and one Ge4+ atom. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the twenty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the twenty-seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the twenty-eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the twenty-ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Ge4+ atom. In the thirtieth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Gd3+ and two Ge4+ atoms. In the thirty-first O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Ge4+ atom. In the thirty-second O2- site, O2- is bonded in a 2-coordinate geometry to two Gd3+ and two Ge4+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the thirty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Ge4+ atom. In the thirty-fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the thirty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ge4+ atom. In the thirty-seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Gd3+ and one Ge4+ atom. In the thirty-eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+ and two Ge4+ atoms. In the thirty-ninth O2- site, O2- is bonded in a 2-coordinate geometry to two Gd3+ and two Ge4+ atoms. In the fortieth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the forty-first O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Ge4+ atom. In the forty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGe2Ir by Materials Project

EuIrGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Eu–Ir bond lengths are 3.36 Å. There are a spread of Eu–Ge bond distances ranging from 3.28–3.42 Å. Ir is bonded in a 9-coordinate geometry to four equivalent Eu and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.43–2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Eu, one Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca5Ge3H by Materials Project

Ca5Ge3H crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Ge atoms. All Ca–Ge bond lengths are 3.10 Å. In the second Ca site, Ca is bonded in a distorted single-bond geometry to five Ge and one H atom. There are a spread of Ca–Ge bond distances ranging from 3.12–3.24 Å. The Ca–H bond length is 2.35 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent Ca atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.57 Å. H is bonded in a tetrahedral geometry to four equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmFeGe2 by Materials Project

TmFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to four equivalent Fe and ten Ge atoms. All Tm–Fe bond lengths are 3.13 Å. There are a spread of Tm–Ge bond distances ranging from 3.08–3.28 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Tm and five Ge atoms. There are one shorter (2.25 Å) and four longer (2.38 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tm, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuCoGe2 by Materials Project

LuCoGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Lu–Co bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.08–3.27 Å. Co is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are one shorter (2.24 Å) and four longer (2.37 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Lu and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Lu, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuFeGe2 by Materials Project

LuFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to four equivalent Fe and ten Ge atoms. All Lu–Fe bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.06–3.29 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Lu and five Ge atoms. There are one shorter (2.25 Å) and four longer (2.38 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Lu and four equivalent Fe atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Lu, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoNiGe2 by Materials Project

HoNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Ho–Ni bond lengths are 3.14 Å. There are a spread of Ho–Ge bond distances ranging from 3.12–3.23 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.29–2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ho, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiGe2 by Materials Project

PrNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.25 Å. There are a spread of Pr–Ge bond distances ranging from 3.18–3.31 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.33–2.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCuGe2 by Materials Project

PrCuGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Pr–Cu bond lengths are 3.26 Å. There are a spread of Pr–Ge bond distances ranging from 3.22–3.34 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are one shorter (2.39 Å) and four longer (2.50 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Cu atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmNiGe2 by Materials Project

SmNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Sm–Ni bond lengths are 3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.16–3.26 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are one shorter (2.32 Å) and four longer (2.40 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Sm, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗