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At least 1,207 records · Page 67
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DOE OSTI2020

Materials Data on Sm2Ga2(Fe5C)3 by Materials Project

Sm2Ga2(Fe5C)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a distorted trigonal planar geometry to three equivalent Fe, one Ga, and three equivalent C atoms. All Sm–Fe bond lengths are 3.41 Å. The Sm–Ga bond length is 3.10 Å. All Sm–C bond lengths are 2.53 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Ga atoms to form distorted FeSm2Ga2Fe8 cuboctahedra that share corners with four equivalent FeSm2Ga2Fe8 cuboctahedra, corners with two equivalent CSm2Fe4 octahedra, faces with four equivalent FeSm2Ga2Fe8 cuboctahedra, and faces with four equivalent CSm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.47 Å) and four longer (2.51 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.65 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent Fe, two equivalent Ga, and one C atom. Both Fe–Ga bond lengths are 2.81 Å. The Fe–C bond length is 1.88 Å. In the third Fe site, Fe is bonded in a single-bond geometry to two equivalent Fe, one Ga, and one C atom. The Fe–Ga bond length is 2.66 Å. The Fe–C bond length is 1.93 Å. Ga is bonded in a 8-coordinate geometry to one Sm, twelve Fe, and one Ga atom. The Ga–Ga bond length is 2.58 Å. C is bonded to two equivalent Sm and four Fe atoms to form CSm2Fe4 octahedra that share corners with two equivalent FeSm2Ga2Fe8 cuboctahedra, corners with four equivalent CSm2Fe4 octahedra, and faces with four equivalent FeSm2Ga2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 61°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErGa3Ru by Materials Project

ErRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Er–Ru bond lengths are 3.20 Å. There are eight shorter (2.94 Å) and two longer (3.20 Å) Er–Ga bond lengths. Ru is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted RuEr4Ga8 cuboctahedra that share corners with four equivalent RuEr4Ga8 cuboctahedra, edges with four equivalent GaEr6 octahedra, and faces with eight equivalent RuEr4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Er atoms to form GaEr6 octahedra that share corners with six equivalent GaEr6 octahedra and edges with twelve equivalent RuEr4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Er, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca5Ga3 by Materials Project

Ca5Ga3 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 square co-planar geometry to four equivalent Ga atoms. All Ca–Ga bond lengths are 3.22 Å. In the second Ca site, Ca is bonded to five Ga atoms to form a mixture of distorted corner, edge, and face-sharing CaGa5 trigonal bipyramids. There are a spread of Ca–Ga bond distances ranging from 3.18–3.33 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Ca atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Ca and one Ga atom. The Ga–Ga bond length is 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaNi4Ge3 by Materials Project

Ni4GaGe3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.64 Å. Both Ni–Ga bond lengths are 2.43 Å. There are a spread of Ni–Ge bond distances ranging from 2.41–2.47 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, one Ga, and six Ge atoms. There are two shorter (2.62 Å) and one longer (2.63 Å) Ni–Ni bond lengths. The Ni–Ga bond length is 2.93 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.50 Å. In the third Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. The Ni–Ni bond length is 2.67 Å. Both Ni–Ga bond lengths are 2.45 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.48 Å. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. Both Ni–Ga bond lengths are 2.40 Å. There are a spread of Ni–Ge bond distances ranging from 2.37–2.43 Å. Ga is bonded in a 10-coordinate geometry to seven Ni and three Ge atoms. There are one shorter (2.86 Å) and two longer (2.97 Å) Ga–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Ni and two equivalent Ga atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Ni and one Ga atom. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGa2Co3 by Materials Project

PrCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Pr–Co bond lengths are 2.90 Å. All Pr–Ga bond lengths are 3.48 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.07 Å) and six longer (3.27 Å) Pr–Co bond lengths. All Pr–Ga bond lengths are 3.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Pr, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoPr4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.53 Å. All Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Pr, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.43 Å. Ga is bonded in a 12-coordinate geometry to four Pr, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGa4Fe9C by Materials Project

LaFe9Ga4C crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to eight equivalent Fe, eight equivalent Ga, and two equivalent C atoms. All La–Fe bond lengths are 3.50 Å. All La–Ga bond lengths are 3.40 Å. Both La–C bond lengths are 2.90 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Ga atoms to form FeGa4Fe8 cuboctahedra that share corners with four equivalent FeLa2Ga4Fe6 cuboctahedra, corners with four equivalent CLa2Fe4 octahedra, and faces with eight equivalent FeLa2Ga4Fe6 cuboctahedra. The corner-sharing octahedral tilt angles are 30°. There are four shorter (2.39 Å) and four longer (2.47 Å) Fe–Fe bond lengths. All Fe–Ga bond lengths are 2.59 Å. In the second Fe site, Fe is bonded in a single-bond geometry to three Fe, four equivalent Ga, and one C atom. Both Fe–Fe bond lengths are 2.54 Å. There are two shorter (2.55 Å) and two longer (2.66 Å) Fe–Ga bond lengths. The Fe–C bond length is 1.85 Å. In the third Fe site, Fe is bonded to two equivalent La, six Fe, and four equivalent Ga atoms to form distorted FeLa2Ga4Fe6 cuboctahedra that share corners with eight FeGa4Fe8 cuboctahedra, corners with two equivalent CLa2Fe4 octahedra, edges with four equivalent FeLa2Ga4Fe6 cuboctahedra, edges with two equivalent CLa2Fe4 octahedra, and faces with seven FeGa4Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 75°. There are two shorter (2.52 Å) and one longer (2.56 Å) Fe–Fe bond lengths. There are a spread of Fe–Ga bond distances ranging from 2.52–2.58 Å. Ga is bonded in a 12-coordinate geometry to two equivalent La, nine Fe, and one Ga atom. The Ga–Ga bond length is 2.84 Å. C is bonded to two equivalent La and four equivalent Fe atoms to form distorted CLa2Fe4 octahedra that share corners with twelve FeLa2Ga4Fe6 cuboctahedra, corners with two equivalent CLa2Fe4 octahedra, and edges with eight equivalent FeLa2Ga4Fe6 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga2B3O8 by Materials Project

Ga2B3O8 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six O atoms to form GaO6 octahedra that share corners with eight BO4 tetrahedra and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.92–2.08 Å. In the second Ga site, Ga is bonded to six O atoms to form GaO6 octahedra that share corners with six BO4 tetrahedra and edges with three GaO6 octahedra. There is four shorter (1.99 Å) and two longer (2.00 Å) Ga–O bond length. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with five GaO6 octahedra and corners with three BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the second B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with four GaO6 octahedra and corners with four equivalent BO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.49 Å) and two longer (1.50 Å) B–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Ga atoms. In the second O site, O is bonded in a trigonal planar geometry to one Ga and two B atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to two Ga and one B atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Ga and two equivalent B atoms. In the fifth O site, O is bonded in a trigonal planar geometry to one Ga and two B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Ga2Co15 by Materials Project

Pr2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to eighteen Co and one Ga atom. There are a spread of Pr–Co bond distances ranging from 2.95–3.34 Å. The Pr–Ga bond length is 3.02 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Pr, eight Co, and two equivalent Ga atoms to form distorted CoPr2Ga2Co8 cuboctahedra that share corners with fourteen CoPr2Ga2Co8 cuboctahedra, edges with six equivalent CoPr3GaCo8 cuboctahedra, and faces with ten CoPr2Ga2Co8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.45 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.55 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Pr, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.42–2.60 Å. Both Co–Ga bond lengths are 2.75 Å. In the third Co site, Co is bonded to three equivalent Pr, eight Co, and one Ga atom to form a mixture of corner, edge, and face-sharing CoPr3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.48 Å. The Co–Ga bond length is 2.61 Å. Ga is bonded in a 7-coordinate geometry to one Pr, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermodynamics of gallium-stabilized delta-plutonium: A high-temperature drop calorimetry study

Throughout the Cold War (1947–1991), both the United States and the former Soviet Union independently derived a phase diagram for the Pu-Ga system that has different implications on Pu phase stability. In the phase diagram produced by the United States, the Pu δ-phase is thermodynamically stable at room temperatures when Ga content is between 2 and 9 at. %. The diagram produced by the Soviet Union shows the δ-phase undergoing an eutectoid decomposition into the α-Pu + α-Pu 3 Ga at 7.9 at. % Ga and 370 K. This would suggest that Ga-stabilized δ-Pu is metastable with respect to α-Pu + α-Pu 3 Ga at 298 K. To investigate this, and the thermodynamic behavior of Ga in the FCC lattice of δ-Pu, we have utilized high-temperature drop calorimetry to study the enthalpy of formation of two δ-Pu 1−x Ga x compositions. In doing so, mixing models (regular and subregular) were developed to understand the thermodynamic behavior of Ga in the FCC lattice of δ-Pu and found a strong departure from ideal conditions, which suggests Ga ordering in the FCC lattice of δ-Pu. Overall, it was found that δ-Pu 1−x Ga x is enthalpically metastable with respect to α-Pu + Pu 3 Ga at 298 K.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga3Ni5 by Materials Project

Ni5Ga3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent NiGa4Ni8 cuboctahedra, edges with eight equivalent NiGa6Ni6 cuboctahedra, and faces with six NiGa4Ni8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.62 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to six Ni and six Ga atoms to form distorted NiGa6Ni6 cuboctahedra that share corners with twelve equivalent NiGa6Ni6 cuboctahedra, edges with four equivalent NiGa4Ni8 cuboctahedra, and faces with eight NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.64 Å. All Ni–Ga bond lengths are 2.53 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to ten Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(GaAu)2 by Materials Project

Sr(AuGa)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eight Au and eight Ga atoms. There are four shorter (3.47 Å) and four longer (3.51 Å) Sr–Au bond lengths. There are four shorter (3.48 Å) and four longer (3.52 Å) Sr–Ga bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five Ga atoms. There are one shorter (2.61 Å) and four longer (2.67 Å) Au–Ga bond lengths. In the second Au site, Au is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Ga atoms. All Au–Ga bond lengths are 2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Sr and five Au atoms. In the second Ga site, Ga is bonded to four equivalent Sr and four equivalent Au atoms to form a mixture of distorted edge and face-sharing GaSr4Au4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba6Ga5N by Materials Project

Ba6Ga5N crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted single-bond geometry to five Ga and one N atom. There are a spread of Ba–Ga bond distances ranging from 3.50–3.72 Å. The Ba–N bond length is 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Ba and four Ga atoms. There are two shorter (2.74 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ga atoms. N is bonded in an octahedral geometry to six equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr6Ga5N by Materials Project

Sr6Ga5N crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr is bonded in a distorted single-bond geometry to five Ga and one N atom. There are a spread of Sr–Ga bond distances ranging from 3.30–3.50 Å. The Sr–N bond length is 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Sr and four Ga atoms. There are two shorter (2.75 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ga atoms. N is bonded in an octahedral geometry to six equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3(GaNi)2 by Materials Project

La3Ni2Ga2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to four equivalent Ni and five Ga atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Ga bond distances ranging from 3.07–3.30 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.35 Å. There are a spread of La–Ga bond distances ranging from 3.19–3.43 Å. Ni is bonded in a 10-coordinate geometry to six La, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing GaLa8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGa4 by Materials Project

EuGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.39 Å) and eight longer (3.48 Å) Eu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Eu and five Ga atoms. There are one shorter (2.51 Å) and four longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Eu and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga3Pd5 by Materials Project

Ga3Pd5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.95 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.76 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to six Ga atoms. There are four shorter (2.72 Å) and two longer (2.75 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiGa3 by Materials Project

Ga3Ti is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to twelve Ga atoms to form TiGa12 cuboctahedra that share corners with four equivalent TiGa12 cuboctahedra, edges with eight equivalent TiGa12 cuboctahedra, edges with sixteen equivalent GaTi4Ga8 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with eight equivalent GaTi4Ga8 cuboctahedra. There are four shorter (2.69 Å) and eight longer (2.91 Å) Ti–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ti and eight Ga atoms to form GaTi4Ga8 cuboctahedra that share corners with twelve equivalent GaTi4Ga8 cuboctahedra, edges with eight equivalent TiGa12 cuboctahedra, edges with eight equivalent GaTi4Ga8 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with ten equivalent GaTi4Ga8 cuboctahedra. There are four shorter (2.69 Å) and four longer (2.91 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Ti and eight equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Ga4Pd7 by Materials Project

Pd7Zn3Ga4 is beta-prime palladium aluminum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to four equivalent Zn and three Ga atoms. There are a spread of Pd–Zn bond distances ranging from 2.63–2.69 Å. There are one shorter (2.58 Å) and two longer (2.63 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Zn and five Ga atoms. There are one shorter (2.69 Å) and one longer (2.73 Å) Pd–Zn bond lengths. There are a spread of Pd–Ga bond distances ranging from 2.61–2.70 Å. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to three equivalent Zn and five Ga atoms. All Pd–Zn bond lengths are 2.73 Å. There are a spread of Pd–Ga bond distances ranging from 2.58–2.78 Å. Zn is bonded in a 7-coordinate geometry to seven Pd atoms. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to seven Pd atoms. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗