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At least 1,369 records · Page 76
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DOE OSTI2020

Materials Data on SbPd3 by Materials Project

Pd3Sb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Sb atoms to form PdSb4Pd8 cuboctahedra that share corners with twelve equivalent PdSb4Pd8 cuboctahedra, edges with eight equivalent SbPd12 cuboctahedra, edges with sixteen equivalent PdSb4Pd8 cuboctahedra, faces with four equivalent SbPd12 cuboctahedra, and faces with fourteen equivalent PdSb4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.87 Å. All Pd–Sb bond lengths are 2.87 Å. Sb is bonded to twelve equivalent Pd atoms to form SbPd12 cuboctahedra that share corners with twelve equivalent SbPd12 cuboctahedra, edges with twenty-four equivalent PdSb4Pd8 cuboctahedra, faces with six equivalent SbPd12 cuboctahedra, and faces with twelve equivalent PdSb4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2Pd by Materials Project

PdCo2 is beta-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co is bonded to nine equivalent Co and three equivalent Pd atoms to form CoCo9Pd3 cuboctahedra that share corners with three equivalent PdCo6Pd6 cuboctahedra, corners with nine equivalent CoCo9Pd3 cuboctahedra, edges with nine equivalent PdCo6Pd6 cuboctahedra, edges with fifteen equivalent CoCo9Pd3 cuboctahedra, faces with six equivalent PdCo6Pd6 cuboctahedra, and faces with twelve equivalent CoCo9Pd3 cuboctahedra. There are three shorter (2.43 Å) and six longer (2.64 Å) Co–Co bond lengths. All Co–Pd bond lengths are 2.68 Å. Pd is bonded to six equivalent Co and six equivalent Pd atoms to form PdCo6Pd6 cuboctahedra that share corners with six equivalent CoCo9Pd3 cuboctahedra, corners with six equivalent PdCo6Pd6 cuboctahedra, edges with six equivalent PdCo6Pd6 cuboctahedra, edges with eighteen equivalent CoCo9Pd3 cuboctahedra, faces with six equivalent PdCo6Pd6 cuboctahedra, and faces with twelve equivalent CoCo9Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaGe3Pd by Materials Project

BaPdGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Ge atoms. There are four shorter (3.61 Å) and one longer (3.76 Å) Ba–Pd bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.43–3.54 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are four shorter (2.56 Å) and one longer (2.63 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.78 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPd3 by Materials Project

Pd3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co is bonded to twelve equivalent Pd atoms to form CoPd12 cuboctahedra that share corners with six equivalent CoPd12 cuboctahedra, corners with twelve equivalent PdCo4Pd8 cuboctahedra, edges with eighteen equivalent PdCo4Pd8 cuboctahedra, faces with eight equivalent CoPd12 cuboctahedra, and faces with twelve equivalent PdCo4Pd8 cuboctahedra. There are six shorter (2.72 Å) and six longer (2.75 Å) Co–Pd bond lengths. Pd is bonded to four equivalent Co and eight equivalent Pd atoms to form distorted PdCo4Pd8 cuboctahedra that share corners with four equivalent CoPd12 cuboctahedra, corners with fourteen equivalent PdCo4Pd8 cuboctahedra, edges with six equivalent CoPd12 cuboctahedra, edges with twelve equivalent PdCo4Pd8 cuboctahedra, faces with four equivalent CoPd12 cuboctahedra, and faces with sixteen equivalent PdCo4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.70–2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrGa3Pd by Materials Project

SrPdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Sr–Pd bond distances ranging from 3.35–3.69 Å. There are a spread of Sr–Ga bond distances ranging from 3.21–3.49 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Sr and five Ga atoms. There are one shorter (2.54 Å) and four longer (2.58 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.69 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Sr, two equivalent Pd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPd2 by Materials Project

ErPd2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to eight equivalent Pd atoms to form distorted edge-sharing ErPd8 hexagonal bipyramids. All Er–Pd bond lengths are 2.87 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPd3 by Materials Project

Pd3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Ga atoms to form distorted PdGa4Pd8 cuboctahedra that share corners with four equivalent GaPd12 cuboctahedra, corners with fourteen equivalent PdGa4Pd8 cuboctahedra, edges with six equivalent GaPd12 cuboctahedra, edges with twelve equivalent PdGa4Pd8 cuboctahedra, faces with four equivalent GaPd12 cuboctahedra, and faces with sixteen equivalent PdGa4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.77–2.84 Å. There are two shorter (2.75 Å) and two longer (2.81 Å) Pd–Ga bond lengths. Ga is bonded to twelve equivalent Pd atoms to form GaPd12 cuboctahedra that share corners with six equivalent GaPd12 cuboctahedra, corners with twelve equivalent PdGa4Pd8 cuboctahedra, edges with eighteen equivalent PdGa4Pd8 cuboctahedra, faces with eight equivalent GaPd12 cuboctahedra, and faces with twelve equivalent PdGa4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCu4Pd by Materials Project

NdCu4Pd crystallizes in the trigonal R3m space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to three equivalent Pd and thirteen Cu atoms. All Nd–Pd bond lengths are 2.95 Å. There are a spread of Nd–Cu bond distances ranging from 3.02–3.15 Å. Pd is bonded to three equivalent Nd and nine Cu atoms to form a mixture of corner and edge-sharing PdNd3Cu9 cuboctahedra. There are a spread of Pd–Cu bond distances ranging from 2.57–2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd, two equivalent Pd, and seven Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.51–3.23 Å. In the second Cu site, Cu is bonded in a 7-coordinate geometry to four equivalent Nd, three equivalent Pd, and nine equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPd3 by Materials Project

Pd3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with twelve equivalent PdCd4Pd8 cuboctahedra, edges with eight equivalent CdPd12 cuboctahedra, edges with sixteen equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with fourteen equivalent PdCd4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.86 Å. All Pd–Cd bond lengths are 2.86 Å. Cd is bonded to twelve equivalent Pd atoms to form CdPd12 cuboctahedra that share corners with twelve equivalent CdPd12 cuboctahedra, edges with twenty-four equivalent PdCd4Pd8 cuboctahedra, faces with six equivalent CdPd12 cuboctahedra, and faces with twelve equivalent PdCd4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Ga7Pd by Materials Project

Nd2PdGa7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to two equivalent Pd and fourteen Ga atoms. Both Nd–Pd bond lengths are 3.41 Å. There are a spread of Nd–Ga bond distances ranging from 3.28–3.44 Å. Pd is bonded to four equivalent Nd and eight Ga atoms to form distorted PdNd4Ga8 cuboctahedra that share corners with four equivalent PdNd4Ga8 cuboctahedra, corners with twelve GaNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga8 cuboctahedra, faces with four equivalent PdNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pd4 cuboctahedra. There are four shorter (2.57 Å) and four longer (3.05 Å) Pd–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Nd, two equivalent Pd, and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.57 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Nd and five Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded to four equivalent Nd and eight Ga atoms to form distorted GaNd4Ga8 cuboctahedra that share corners with eight equivalent PdNd4Ga8 cuboctahedra, corners with eight GaNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga4Pd4 cuboctahedra, and faces with eight GaNd4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.05 Å. In the fourth Ga site, Ga is bonded to four equivalent Nd, four equivalent Pd, and four equivalent Ga atoms to form GaNd4Ga4Pd4 cuboctahedra that share corners with sixteen GaNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga8 cuboctahedra, faces with four equivalent PdNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pd4 cuboctahedra. In the fifth Ga site, Ga is bonded to four equivalent Nd and eight Ga atoms to form distorted GaNd4Ga8 cuboctahedra that share corners with four equivalent PdNd4Ga8 cuboctahedra, corners with twelve GaNd4Ga8 cuboctahedra, edges with two equivalent PdNd4Ga8 cuboctahedra, and faces with eight GaNd4Ga8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PdSe2 by Materials Project

PdSe2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one PdSe2 sheet oriented in the (0, 0, 1) direction. there are six inequivalent Pd4+ sites. In the first Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Se2- atoms. There are one shorter (2.45 Å) and three longer (2.46 Å) Pd–Se bond lengths. In the second Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Pd–Se bond lengths. In the third Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.45 Å) and two longer (2.46 Å) Pd–Se bond lengths. In the fourth Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Pd–Se bond lengths. In the fifth Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Se2- atoms. All Pd–Se bond lengths are 2.46 Å. In the sixth Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Pd–Se bond lengths. There are twelve inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. The Se–Se bond length is 2.42 Å. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. The Se–Se bond length is 2.42 Å. In the third Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. The Se–Se bond length is 2.42 Å. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. The Se–Se bond length is 2.42 Å. In the fifth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. The Se–Se bond length is 2.42 Å. In the sixth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. The Se–Se bond length is 2.42 Å. In the seventh Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. In the eighth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. In the ninth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. In the tenth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. In the eleventh Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom. In the twelfth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Pd4+ and one Se2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPd3 by Materials Project

Pd3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Ga atoms to form PdGa4Pd8 cuboctahedra that share corners with twelve equivalent PdGa4Pd8 cuboctahedra, edges with eight equivalent GaPd12 cuboctahedra, edges with sixteen equivalent PdGa4Pd8 cuboctahedra, faces with four equivalent GaPd12 cuboctahedra, and faces with fourteen equivalent PdGa4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.78 Å. All Pd–Ga bond lengths are 2.78 Å. Ga is bonded to twelve equivalent Pd atoms to form GaPd12 cuboctahedra that share corners with twelve equivalent GaPd12 cuboctahedra, edges with twenty-four equivalent PdGa4Pd8 cuboctahedra, faces with six equivalent GaPd12 cuboctahedra, and faces with twelve equivalent PdGa4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ga7Pd by Materials Project

Ce2PdGa7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pd and twelve Ga atoms. All Ce–Pd bond lengths are 3.37 Å. There are a spread of Ce–Ga bond distances ranging from 3.28–3.39 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.28–3.48 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.51 Å) Pd–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four Ce, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Ce and four Ga atoms. There are two shorter (2.59 Å) and two longer (2.65 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.44 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. In the fifth Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ce, one Pd, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbPd by Materials Project

YbPd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Yb–Pd bond distances ranging from 2.93–3.04 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Yb and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCu4Pd by Materials Project

PrCu4Pd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pr is bonded in a distorted hexagonal planar geometry to three equivalent Pd and fifteen Cu atoms. All Pr–Pd bond lengths are 2.99 Å. There are three shorter (2.99 Å) and twelve longer (3.35 Å) Pr–Cu bond lengths. Pd is bonded to three equivalent Pr and nine Cu atoms to form distorted PdPr3Cu9 cuboctahedra that share corners with twenty-one CuPr3Cu6Pd3 cuboctahedra, edges with six equivalent PdPr3Cu9 cuboctahedra, faces with two equivalent PdPr3Cu9 cuboctahedra, and faces with twenty-one CuPr3Cu6Pd3 cuboctahedra. There are six shorter (2.61 Å) and three longer (2.99 Å) Pd–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Pr, three equivalent Pd, and six equivalent Cu atoms to form CuPr3Cu6Pd3 cuboctahedra that share corners with nine equivalent PdPr3Cu9 cuboctahedra, corners with twelve equivalent CuPr4Cu6Pd2 cuboctahedra, edges with six equivalent CuPr3Cu6Pd3 cuboctahedra, faces with three equivalent PdPr3Cu9 cuboctahedra, and faces with twenty CuPr3Cu6Pd3 cuboctahedra. All Cu–Cu bond lengths are 2.57 Å. In the second Cu site, Cu is bonded to four equivalent Pr, two equivalent Pd, and six Cu atoms to form distorted CuPr4Cu6Pd2 cuboctahedra that share corners with four equivalent PdPr3Cu9 cuboctahedra, corners with twenty CuPr3Cu6Pd3 cuboctahedra, edges with ten equivalent CuPr4Cu6Pd2 cuboctahedra, faces with six equivalent PdPr3Cu9 cuboctahedra, and faces with sixteen CuPr3Cu6Pd3 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.65 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdPd2 by Materials Project

Pd2Nd is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. All Nd–Pd bond lengths are 2.97 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdGe2Pd by Materials Project

NdPdGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Pd and ten Ge atoms. All Nd–Pd bond lengths are 3.33 Å. There are a spread of Nd–Ge bond distances ranging from 3.27–3.35 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.45–2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Nd, one Pd, 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 Nd and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPd2 by Materials Project

PrPd2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. All Pr–Pd bond lengths are 2.99 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.81 Å.

36 MATERIALS SCIENCE↗