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DOE OSTI2020

Materials Data on Tm3Ga8Ir3 by Materials Project

Tm3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted face-sharing TmGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.25 Å) Tm–Ga bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (2.96 Å) and two longer (2.98 Å) Tm–Ir bond lengths. There are four shorter (3.03 Å) and four longer (3.16 Å) Tm–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tm and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to two equivalent Tm and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.60 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tm, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.53 Å.

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Materials Data on Er3Ga8Ir3 by Materials Project

Er3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Ga atoms to form distorted face-sharing ErGa12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.23 Å) Er–Ga bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (2.96 Å) and two longer (2.99 Å) Er–Ir bond lengths. There are four shorter (3.03 Å) and four longer (3.16 Å) Er–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to two equivalent Er and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.60 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Er, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.69 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.54 Å.

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Materials Data on UGaFe by Materials Project

UFeGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Fe and six Ga atoms. There are four shorter (2.78 Å) and one longer (2.80 Å) U–Fe bond lengths. There are two shorter (2.99 Å) and four longer (3.12 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Fe and six Ga atoms. There are a spread of U–Fe bond distances ranging from 2.76–2.80 Å. There are two shorter (2.99 Å) and four longer (3.12 Å) U–Ga bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to six U and three Ga atoms. All Fe–Ga bond lengths are 2.56 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are two shorter (2.51 Å) and four longer (2.52 Å) Fe–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six U, four Fe, and two equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaU6Ga2Fe4 cuboctahedra. Both Ga–Ga bond lengths are 2.69 Å. In the second Ga site, Ga is bonded to six U, four Fe, and two Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaU6Ga2Fe4 cuboctahedra. The Ga–Ga bond length is 2.68 Å.

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Materials Data on Ga4Bi3As by Materials Project

Ga4Bi3As is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Ga sites. In the first Ga site, Ga is bonded to three equivalent Bi and one As atom to form corner-sharing GaBi3As tetrahedra. All Ga–Bi bond lengths are 2.78 Å. The Ga–As bond length is 2.51 Å. In the second Ga site, Ga is bonded to four Bi atoms to form corner-sharing GaBi4 tetrahedra. There are three shorter (2.75 Å) and one longer (2.78 Å) Ga–Bi bond lengths. In the third Ga site, Ga is bonded to four Bi atoms to form corner-sharing GaBi4 tetrahedra. There are three shorter (2.76 Å) and one longer (2.77 Å) Ga–Bi bond lengths. In the fourth Ga site, Ga is bonded to one Bi and three equivalent As atoms to form corner-sharing GaBiAs3 tetrahedra. The Ga–Bi bond length is 2.81 Å. All Ga–As bond lengths are 2.68 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded to four Ga atoms to form BiGa4 tetrahedra that share corners with three equivalent AsGa4 tetrahedra and corners with nine BiGa4 tetrahedra. In the second Bi site, Bi is bonded to four Ga atoms to form corner-sharing BiGa4 tetrahedra. In the third Bi site, Bi is bonded to four Ga atoms to form BiGa4 tetrahedra that share corners with three equivalent AsGa4 tetrahedra and corners with nine BiGa4 tetrahedra. As is bonded to four Ga atoms to form AsGa4 tetrahedra that share corners with six BiGa4 tetrahedra and corners with six equivalent AsGa4 tetrahedra.

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Materials Data on Nd26Ga7Co10 by Materials Project

Nd26Co10Ga7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are six inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to four Co and two Ga atoms. There are a spread of Nd–Co bond distances ranging from 2.92–3.56 Å. There are one shorter (3.20 Å) and one longer (3.29 Å) Nd–Ga bond lengths. In the second Nd site, Nd is bonded in a 6-coordinate geometry to two equivalent Co and four Ga atoms. Both Nd–Co bond lengths are 3.00 Å. There are a spread of Nd–Ga bond distances ranging from 3.19–3.69 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to four Co atoms. There are two shorter (2.84 Å) and two longer (3.11 Å) Nd–Co bond lengths. In the fourth Nd site, Nd is bonded to four Ga atoms to form edge-sharing NdGa4 tetrahedra. There are two shorter (3.09 Å) and two longer (3.13 Å) Nd–Ga bond lengths. In the fifth Nd site, Nd is bonded in a 6-coordinate geometry to three Co and three Ga atoms. There are a spread of Nd–Co bond distances ranging from 2.73–3.03 Å. There are a spread of Nd–Ga bond distances ranging from 3.13–3.46 Å. In the sixth Nd site, Nd is bonded in a 6-coordinate geometry to four Co and two equivalent Ga atoms. There are two shorter (2.89 Å) and two longer (3.31 Å) Nd–Co bond lengths. Both Nd–Ga bond lengths are 3.45 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Nd and one Ga atom. The Co–Ga bond length is 2.98 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Nd atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to eight Nd and two Co atoms. There are one shorter (2.78 Å) and one longer (2.83 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 9-coordinate geometry to eight Nd and one Co atom. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to ten Nd and one Co atom. In the third Ga site, Ga is bonded in a 10-coordinate geometry to ten Nd atoms.

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Materials Data on UGaRu by Materials Project

UGaRu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Ru and six Ga atoms. There are four shorter (2.89 Å) and one longer (2.92 Å) U–Ru bond lengths. There are two shorter (3.09 Å) and four longer (3.24 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ru and six Ga atoms. There are a spread of U–Ru bond distances ranging from 2.87–2.90 Å. There are two shorter (3.10 Å) and four longer (3.24 Å) U–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six U and three Ga atoms. All Ru–Ga bond lengths are 2.66 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are two shorter (2.61 Å) and four longer (2.62 Å) Ru–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Ru, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Ru, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.

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Materials Data on U(GaCu3)2 by Materials Project

U(Cu3Ga)2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 9-coordinate geometry to fifteen Cu and four Ga atoms. There are a spread of U–Cu bond distances ranging from 3.01–3.26 Å. There are one shorter (3.42 Å) and three longer (3.44 Å) U–Ga bond lengths. In the second U site, U is bonded in a 9-coordinate geometry to fifteen Cu and three equivalent Ga atoms. There are a spread of U–Cu bond distances ranging from 3.02–3.35 Å. All U–Ga bond lengths are 3.29 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to two U, six Cu, and three Ga atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–2.66 Å. There are a spread of Cu–Ga bond distances ranging from 2.44–2.77 Å. In the second Cu site, Cu is bonded to three U, six Cu, and three Ga atoms to form a mixture of edge, corner, and face-sharing CuU3Ga3Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.49 Å. There are two shorter (2.61 Å) and one longer (2.89 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 11-coordinate geometry to three U, six Cu, and two equivalent Ga atoms. Both Cu–Ga bond lengths are 2.50 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to two U, eight Cu, and one Ga atom. The Ga–Ga bond length is 2.95 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one U, nine Cu, and three equivalent Ga atoms.

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Materials Data on Mn4Ga3Co8Ge by Materials Project

Mn4Co8Ga3Ge is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co and six Ga atoms. There are a spread of Mn–Co bond distances ranging from 2.47–2.50 Å. All Mn–Ga bond lengths are 2.86 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co, three equivalent Ga, and three equivalent Ge atoms. There are a spread of Mn–Co bond distances ranging from 2.44–2.49 Å. All Mn–Ga bond lengths are 2.85 Å. All Mn–Ge bond lengths are 2.87 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn and four Ga atoms. There are one shorter (2.47 Å) and three longer (2.48 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are three shorter (2.47 Å) and one longer (2.49 Å) Co–Ga bond lengths. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ga, and three equivalent Ge atoms. The Co–Ga bond length is 2.51 Å. All Co–Ge bond lengths are 2.47 Å. In the fourth Co site, Co is bonded in a body-centered cubic geometry to four Mn, three equivalent Ga, and one Ge atom. All Co–Ga bond lengths are 2.48 Å. The Co–Ge bond length is 2.46 Å. In the fifth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn and four Ga atoms. There are one shorter (2.47 Å) and three longer (2.48 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to six Mn and eight Co atoms. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Co atoms. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Co atoms.

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Materials Data on Tb3Ga8Ir3 by Materials Project

Tb3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Ir and twelve Ga atoms to form distorted face-sharing TbGa12Ir4 cuboctahedra. All Tb–Ir bond lengths are 3.52 Å. All Tb–Ga bond lengths are 3.22 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (3.00 Å) and two longer (3.02 Å) Tb–Ir bond lengths. There are four shorter (3.06 Å) and four longer (3.17 Å) Tb–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Tb and six Ga atoms. There are two shorter (2.57 Å) and four longer (2.61 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tb, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.56 Å.

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Materials Data on Lu2Ga3Ni14 by Materials Project

Lu2Ni14Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.84–3.23 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to fourteen Ni and six Ga atoms. There are a spread of Lu–Ni bond distances ranging from 2.87–3.06 Å. All Lu–Ga bond lengths are 3.14 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three Lu, seven Ni, and two Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.61 Å. Both Ni–Ga bond lengths are 2.41 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three Lu, seven Ni, and two equivalent Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.62 Å. Both Ni–Ga bond lengths are 2.41 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to one Lu, ten Ni, and three Ga atoms. There are one shorter (2.38 Å) and six longer (2.79 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.54 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. There are one shorter (2.41 Å) and one longer (2.63 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.43 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. There are one shorter (2.41 Å) and one longer (2.63 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.43 Å. In the sixth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. Both Ni–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Lu and ten Ni atoms to form a mixture of distorted face and corner-sharing GaLu2Ni10 cuboctahedra. In the second Ga site, Ga is bonded to two equivalent Lu and ten Ni atoms to form a mixture of distorted face and corner-sharing GaLu2Ni10 cuboctahedra.

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Materials Data on PuGaNi by Materials Project

PuNiGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 11-coordinate geometry to five Ni and six Ga atoms. There are four shorter (2.83 Å) and one longer (2.88 Å) Pu–Ni bond lengths. There are two shorter (3.07 Å) and four longer (3.17 Å) Pu–Ga bond lengths. In the second Pu site, Pu is bonded in a 11-coordinate geometry to five Ni and six Ga atoms. There are two shorter (2.84 Å) and three longer (2.85 Å) Pu–Ni bond lengths. There are a spread of Pu–Ga bond distances ranging from 3.05–3.18 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Pu and three Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.64–2.68 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to three Pu and six Ga atoms. There are four shorter (2.55 Å) and two longer (2.57 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six Pu, four Ni, and two equivalent Ga atoms to form distorted face-sharing GaPu6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Pu, four Ni, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.

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Materials Data on Ho3Ga8Rh3 by Materials Project

Ho3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form distorted face-sharing HoGa12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.22 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.98 Å) and two longer (3.00 Å) Ho–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.16 Å) Ho–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Ho and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Ho and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.60 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Ho, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.71 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Ho, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.54 Å.

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Materials Data on HoMnGa by Materials Project

HoMnGa crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Ho–Mn bond distances ranging from 2.93–3.25 Å. There are a spread of Ho–Ga bond distances ranging from 2.92–3.26 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Ho–Mn bond distances ranging from 2.90–3.12 Å. There are a spread of Ho–Ga bond distances ranging from 3.03–3.33 Å. In the third Ho site, Ho is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Ho–Mn bond distances ranging from 2.92–3.22 Å. There are a spread of Ho–Ga bond distances ranging from 2.94–3.20 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six Ho, one Mn, and two equivalent Ga atoms. The Mn–Mn bond length is 2.77 Å. There are one shorter (2.71 Å) and one longer (2.72 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded to six Ho, two equivalent Mn, and four Ga atoms to form distorted face-sharing MnHo6Mn2Ga4 cuboctahedra. There are two shorter (2.60 Å) and two longer (3.05 Å) Mn–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Ho, two equivalent Mn, and four equivalent Ga atoms. There are two shorter (2.70 Å) and two longer (2.71 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six Ho, three Mn, and two equivalent Ga atoms.

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Materials Data on Tm3Ga8Rh3 by Materials Project

Tm3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted face-sharing TmGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.22 Å) Tm–Ga bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.96 Å) and two longer (2.97 Å) Tm–Rh bond lengths. There are four shorter (3.03 Å) and four longer (3.16 Å) Tm–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Tm and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Tm and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.59 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tm, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.53 Å.

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Materials Data on Tb3Ga8Rh3 by Materials Project

Tb3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Rh and twelve Ga atoms to form distorted face-sharing TbGa12Rh4 cuboctahedra. All Tb–Rh bond lengths are 3.51 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (3.01 Å) and two longer (3.03 Å) Tb–Rh bond lengths. There are four shorter (3.07 Å) and four longer (3.17 Å) Tb–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.63 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Tb and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.61 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tb, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.73 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.57 Å.

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Materials Data on Dy3Ga8Rh3 by Materials Project

Dy3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Rh and twelve Ga atoms to form distorted face-sharing DyGa12Rh4 cuboctahedra. All Dy–Rh bond lengths are 3.50 Å. There are four shorter (3.20 Å) and eight longer (3.22 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.98 Å) and two longer (3.01 Å) Dy–Rh bond lengths. There are four shorter (3.06 Å) and four longer (3.17 Å) Dy–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Dy and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.62 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.60 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Dy, three Rh, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.71 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.55 Å.

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Materials Data on Y3Ga8Rh3 by Materials Project

Y3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to four equivalent Rh and twelve Ga atoms. All Y–Rh bond lengths are 3.48 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Y–Ga bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (3.01 Å) and two longer (3.04 Å) Y–Rh bond lengths. There are four shorter (3.06 Å) and four longer (3.16 Å) Y–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Y and six Ga atoms. There are two shorter (2.54 Å) and four longer (2.60 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to three Y, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.56 Å.

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Materials Data on La2(GaNi)5 by Materials Project

La2(NiGa)5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to eight Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 3.07–3.27 Å. There are one shorter (3.22 Å) and four longer (3.40 Å) La–Ga bond lengths. In the second La site, La is bonded in a 1-coordinate geometry to seven Ni and six Ga atoms. There are a spread of La–Ni bond distances ranging from 3.01–3.22 Å. There are two shorter (3.15 Å) and four longer (3.35 Å) La–Ga bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to three La, two equivalent Ni, and six Ga atoms. Both Ni–Ni bond lengths are 2.47 Å. There are four shorter (2.56 Å) and two longer (2.87 Å) Ni–Ga bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to three La and five Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.37–2.57 Å. In the third Ni site, Ni is bonded in a 11-coordinate geometry to three La, one Ni, and four equivalent Ga atoms. There are two shorter (2.42 Å) and two longer (2.54 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two La, five Ni, and three Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.54–2.65 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to three La, four Ni, and four equivalent Ga atoms.

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