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At least 1,711 records · Page 95
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DOE OSTI2020

Materials Data on Tm5BiPt2 by Materials Project

Tm5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing TmBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Tm–Pt bond lengths are 2.97 Å. Both Tm–Bi bond lengths are 3.47 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.90 Å) and two longer (2.95 Å) Tm–Pt bond lengths. Both Tm–Bi bond lengths are 3.30 Å. Pt is bonded in a 8-coordinate geometry to eight Tm atoms. Bi is bonded in a 10-coordinate geometry to ten Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSiPt2 by Materials Project

TbPt2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb4+ is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Si4- atoms. There are two shorter (3.00 Å) and two longer (3.01 Å) Tb–Pt bond lengths. There are a spread of Tb–Si bond distances ranging from 2.99–3.02 Å. Pt is bonded in a 3-coordinate geometry to two equivalent Tb4+ and three equivalent Si4- atoms. There are a spread of Pt–Si bond distances ranging from 2.50–2.63 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Tb4+ and six equivalent Pt atoms.

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DOE OSTI2020

Materials Data on Ba(Cd2Pt)2 by Materials Project

Ba(PtCd2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ba is bonded to six equivalent Pt atoms to form a mixture of distorted edge and corner-sharing BaPt6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (3.37 Å) and four longer (3.50 Å) Ba–Pt bond lengths. Pt is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent Cd atoms. There are four shorter (2.83 Å) and two longer (2.85 Å) Pt–Cd bond lengths. Cd is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Pt by Materials Project

Mg5Pt crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to three equivalent Mg and two equivalent Pt atoms. There are two shorter (3.11 Å) and one longer (3.35 Å) Mg–Mg bond lengths. Both Mg–Pt bond lengths are 2.80 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are four shorter (3.03 Å) and two longer (3.33 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two equivalent Pt atoms. Both Mg–Pt bond lengths are 2.71 Å. Pt is bonded in a body-centered cubic geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErGaPt by Materials Project

ErPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are a spread of Er–Pt bond distances ranging from 2.91–3.08 Å. There are a spread of Er–Ga bond distances ranging from 3.08–3.21 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Ga atoms. There are three shorter (2.60 Å) and one longer (2.72 Å) Pt–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2PtI5 by Materials Project

Rb2PtI5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Rb–I bond distances ranging from 3.80–4.23 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Pt–I bond distances ranging from 2.68–2.93 Å. There are three inequivalent I sites. In the first I site, I is bonded to four equivalent Rb and one Pt atom to form a mixture of distorted edge and corner-sharing IRb4Pt trigonal bipyramids. In the second I site, I is bonded in a 6-coordinate geometry to four equivalent Rb and two equivalent Pt atoms. In the third I site, I is bonded in a 3-coordinate geometry to two equivalent Rb and one Pt atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr6Te2Pt by Materials Project

Zr6PtTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Te atoms. Both Zr–Pt bond lengths are 2.72 Å. Both Zr–Te bond lengths are 2.98 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Pt and four equivalent Te atoms. The Zr–Pt bond length is 3.18 Å. All Zr–Te bond lengths are 3.03 Å. Pt is bonded in a 9-coordinate geometry to nine Zr atoms. Te is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Al3Pt by Materials Project

Tb2PtAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Pt and nine equivalent Al atoms. All Tb–Pt bond lengths are 3.25 Å. There are three shorter (3.18 Å) and six longer (3.23 Å) Tb–Al bond lengths. Pt is bonded to six equivalent Tb and six equivalent Al atoms to form PtTb6Al6 cuboctahedra that share corners with six equivalent PtTb6Al6 cuboctahedra, corners with twelve equivalent AlTb6Al4Pt2 cuboctahedra, edges with six equivalent PtTb6Al6 cuboctahedra, and faces with eighteen equivalent AlTb6Al4Pt2 cuboctahedra. All Pt–Al bond lengths are 2.72 Å. Al is bonded to six equivalent Tb, two equivalent Pt, and four equivalent Al atoms to form distorted AlTb6Al4Pt2 cuboctahedra that share corners with four equivalent PtTb6Al6 cuboctahedra, corners with fourteen equivalent AlTb6Al4Pt2 cuboctahedra, edges with six equivalent AlTb6Al4Pt2 cuboctahedra, faces with six equivalent PtTb6Al6 cuboctahedra, and faces with twelve equivalent AlTb6Al4Pt2 cuboctahedra. All Al–Al bond lengths are 2.78 Å.

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DOE OSTI2020

Materials Data on YAlPt by Materials Project

PtYAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Y–Pt bond distances ranging from 2.87–3.12 Å. There are a spread of Y–Al bond distances ranging from 3.08–3.29 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.61–2.67 Å. Al is bonded in a 4-coordinate geometry to six equivalent Y and four equivalent Pt atoms.

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DOE OSTI2020

Materials Data on Zr2Pt by Materials Project

Zr2Pt crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pt atoms. All Zr–Pt bond lengths are 2.83 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to four equivalent Pt atoms. There are two shorter (2.80 Å) and two longer (3.22 Å) Zr–Pt bond lengths. Pt is bonded in a 9-coordinate geometry to nine Zr atoms.

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DOE OSTI2020

Materials Data on Pr3Si11Pt23 by Materials Project

Pr3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr+3.33+ is bonded to eight equivalent Pt2- atoms to form distorted corner-sharing PrPt8 cuboctahedra. All Pr–Pt bond lengths are 3.17 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.59 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Pr+3.33+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–2.47 Å. In the third Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.44 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.52 Å. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSnPt2 by Materials Project

TbPt2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Pt atoms. There are six shorter (3.01 Å) and two longer (3.13 Å) Tb–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to four equivalent Tb and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.76 Å. Sn is bonded to six equivalent Pt atoms to form distorted edge-sharing SnPt6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGaPt2 by Materials Project

YPt2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YPt2Ga ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Pt atoms. Both Y–Pt bond lengths are 2.52 Å. Pt is bonded in a linear geometry to one Y and one Ga atom. The Pt–Ga bond length is 2.54 Å. Ga is bonded in a linear geometry to two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5Pt3 by Materials Project

Y5Pt3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Pt atoms. All Y–Pt bond lengths are 3.06 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Y–Pt bond distances ranging from 2.91–3.32 Å. Pt is bonded in a 9-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbGePt by Materials Project

NbPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb is bonded in a 11-coordinate geometry to six equivalent Pt and five equivalent Ge atoms. There are a spread of Nb–Pt bond distances ranging from 2.99–3.08 Å. There are a spread of Nb–Ge bond distances ranging from 2.71–2.87 Å. Pt is bonded in a 12-coordinate geometry to six equivalent Nb and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.47–2.59 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Nb and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtBr3N2 by Materials Project

PtN2Br3 crystallizes in the orthorhombic Fddd space group. The structure is one-dimensional and consists of eight PtN2Br3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a distorted linear geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 1.81 Å. There are two shorter (2.52 Å) and two longer (3.02 Å) Pt–Br bond lengths. In the second Pt5+ site, Pt5+ is bonded in a distorted octahedral geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 1.84 Å. There are two shorter (2.55 Å) and two longer (2.57 Å) Pt–Br bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a distorted linear geometry to two Pt5+ atoms. The Br–Pt bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Pt by Materials Project

Yb2Pt is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Pt atoms to form a mixture of corner and edge-sharing YbPt4 tetrahedra. There are a spread of Yb–Pt bond distances ranging from 2.87–2.97 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Yb–Pt bond distances ranging from 3.08–3.36 Å. Pt is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta3Pt by Materials Project

Ta3Pt is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Pt atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Pt4 tetrahedra. All Ta–Ta bond lengths are 2.83 Å. All Ta–Pt bond lengths are 2.83 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Pt atoms. All Ta–Pt bond lengths are 3.27 Å. Pt is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.

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