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DOE OSTI2020

Materials Data on EuZr4O9 by Materials Project

EuZr4O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Eu2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.51 Å. There are four inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.14–2.38 Å. In the second Zr4+ site, Zr4+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing ZrO7 hexagonal pyramids. There are a spread of Zr–O bond distances ranging from 2.16–2.26 Å. In the third Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.14–2.40 Å. In the fourth Zr4+ site, Zr4+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing ZrO7 hexagonal pyramids. There are a spread of Zr–O bond distances ranging from 2.16–2.27 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one Eu2+ and three Zr4+ atoms to form OEuZr3 tetrahedra that share corners with twelve OEuZr3 tetrahedra, corners with four equivalent OEu2Zr2 trigonal pyramids, and edges with four OEuZr3 tetrahedra. In the second O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with fourteen OZr4 tetrahedra, a cornercorner with one OEu2Zr2 trigonal pyramid, and edges with six OZr4 tetrahedra. In the third O2- site, O2- is bonded to one Eu2+ and three Zr4+ atoms to form OEuZr3 tetrahedra that share corners with twelve OEuZr3 tetrahedra, corners with four equivalent OEu2Zr2 trigonal pyramids, and edges with four OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with fourteen OEuZr3 tetrahedra, a cornercorner with one OEu2Zr2 trigonal pyramid, and edges with six OZr4 tetrahedra. In the fifth O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with fourteen OEuZr3 tetrahedra, a cornercorner with one OEu2Zr2 trigonal pyramid, and edges with six OZr4 tetrahedra. In the sixth O2- site, O2- is bonded to one Eu2+ and three Zr4+ atoms to form OEuZr3 tetrahedra that share corners with twelve OEuZr3 tetrahedra, edges with four OZr4 tetrahedra, and edges with two equivalent OEu2Zr2 trigonal pyramids. In the seventh O2- site, O2- is bonded to one Eu2+ and three Zr4+ atoms to form OEuZr3 tetrahedra that share corners with twelve OEuZr3 tetrahedra, edges with four OZr4 tetrahedra, and edges with two equivalent OEu2Zr2 trigonal pyramids. In the eighth O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with fourteen OEuZr3 tetrahedra, a cornercorner with one OEu2Zr2 trigonal pyramid, and edges with six OZr4 tetrahedra. In the ninth O2- site, O2- is bonded to two equivalent Eu2+ and two Zr4+ atoms to form distorted OEu2Zr2 trigonal pyramids that share corners with twelve OEuZr3 tetrahedra, corners with two equivalent OEu2Zr2 trigonal pyramids, and edges with four OEuZr3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMgIn(MoO4)3 by Materials Project

KMgIn(MoO4)3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. K1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.78–2.86 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.11–2.14 Å. There are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 25–33°. There are a spread of Mo–O bond distances ranging from 1.78–1.81 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 26–34°. There are a spread of Mo–O bond distances ranging from 1.78–1.81 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 25–32°. There are a spread of Mo–O bond distances ranging from 1.78–1.81 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six MoO4 tetrahedra. There are three shorter (2.14 Å) and three longer (2.16 Å) In–O bond lengths. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mo6+, and one In3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mo6+, and one In3+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mo6+, and one In3+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnAl2Sb2(PO4)6 by Materials Project

MnAl2Sb2(PO4)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.28–2.33 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.86–1.99 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 1.95–1.97 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one AlO6 octahedra and corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–38°. There are a spread of P–O bond distances ranging from 1.51–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent AlO6 octahedra and corners with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–39°. There are a spread of P–O bond distances ranging from 1.51–1.56 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SbO6 octahedra and corners with three equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 22–42°. There are a spread of P–O bond distances ranging from 1.51–1.57 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Al3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Al3+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Al3+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrCa3Lu9O18 by Materials Project

SrCa3Lu9O18 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Sr is bonded in a distorted hexagonal planar geometry to six O atoms. There are three shorter (2.63 Å) and three longer (2.74 Å) Sr–O bond lengths. Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.40–2.82 Å. There are three inequivalent Lu sites. In the first Lu site, Lu is bonded to six O atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 54–60°. There are a spread of Lu–O bond distances ranging from 2.17–2.30 Å. In the second Lu site, Lu is bonded to six O atoms to form a mixture of distorted edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Lu–O bond distances ranging from 2.12–2.35 Å. In the third Lu site, Lu is bonded to six O atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 54–60°. There are a spread of Lu–O bond distances ranging from 2.17–2.31 Å. There are six inequivalent O sites. In the first O site, O is bonded to two equivalent Ca and three Lu atoms to form distorted OCa2Lu3 trigonal bipyramids that share corners with two equivalent OCa2Lu3 square pyramids, corners with two equivalent OCa2Lu3 trigonal bipyramids, corners with three OCaLu3 trigonal pyramids, edges with three equivalent OCa2Lu3 square pyramids, edges with three OCa2Lu3 trigonal bipyramids, and edges with three equivalent OCaLu3 trigonal pyramids. In the second O site, O is bonded to two equivalent Ca and three equivalent Lu atoms to form distorted OCa2Lu3 trigonal bipyramids that share corners with two equivalent OCa2Lu3 square pyramids, corners with two equivalent OCa2Lu3 trigonal bipyramids, corners with six OCaLu3 trigonal pyramids, an edgeedge with one OCa2Lu3 square pyramid, edges with five OCa2Lu3 trigonal bipyramids, and an edgeedge with one OSrLu3 trigonal pyramid. In the third O site, O is bonded to two equivalent Ca and three Lu atoms to form OCa2Lu3 square pyramids that share corners with four OCa2Lu3 trigonal bipyramids, corners with three OCaLu3 trigonal pyramids, edges with two equivalent OCa2Lu3 square pyramids, edges with four OCa2Lu3 trigonal bipyramids, and edges with two equivalent OCaLu3 trigonal pyramids. In the fourth O site, O is bonded to one Ca and three equivalent Lu atoms to form distorted OCaLu3 trigonal pyramids that share a cornercorner with one OCa2Lu3 square pyramid, corners with four OCa2Lu3 trigonal bipyramids, corners with six equivalent OCaLu3 trigonal pyramids, edges with two equivalent OCa2Lu3 square pyramids, and edges with three equivalent OCa2Lu3 trigonal bipyramids. In the fifth O site, O is bonded to one Sr and three Lu atoms to form distorted OSrLu3 trigonal pyramids that share corners with two equivalent OCa2Lu3 square pyramids, corners with five OCa2Lu3 trigonal bipyramids, corners with four equivalent OSrLu3 trigonal pyramids, and an edgeedge with one OCa2Lu3 trigonal bipyramid. In the sixth O site, O is bonded in a 4-coordinate geometry to one Sr and three Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaNb2Fe2(PO4)6 by Materials Project

BaNb2Fe2(PO4)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are two shorter (2.72 Å) and four longer (2.76 Å) Ba–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.96–2.03 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.96–2.09 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NbO6 octahedra and corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 23–33°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one FeO6 octahedra and corners with three equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–35°. There are a spread of P–O bond distances ranging from 1.51–1.56 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaLaO2 by Materials Project

NaLaO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.44 Å. La3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are four shorter (2.44 Å) and two longer (2.47 Å) La–O bond lengths. O2- is bonded to two equivalent Na1+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing ONa2La3 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMgIn(MoO4)3 by Materials Project

KMgIn(MoO4)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. K1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.88 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.09–2.14 Å. There are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There is two shorter (1.78 Å) and two longer (1.80 Å) Mo–O bond length. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 25–31°. There are a spread of Mo–O bond distances ranging from 1.78–1.80 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 24–34°. There is two shorter (1.77 Å) and two longer (1.82 Å) Mo–O bond length. In the fourth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 23–35°. There is two shorter (1.77 Å) and two longer (1.82 Å) Mo–O bond length. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.17 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Mg2+, and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mo6+, and one In3+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mo6+, and one In3+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Mo6+, and one In3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfRh3 by Materials Project

Rh3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Rh atoms to form a mixture of corner and face-sharing HfRh12 cuboctahedra. All Hf–Rh bond lengths are 2.79 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UIr3 by Materials Project

UIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Ir atoms to form a mixture of face and corner-sharing UIr12 cuboctahedra. All U–Ir bond lengths are 2.86 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent U atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGa3 by Materials Project

TbGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Ga atoms to form a mixture of corner and face-sharing TbGa12 cuboctahedra. All Tb–Ga bond lengths are 3.03 Å. Ga is bonded in a distorted square co-planar geometry to four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuPb3 by Materials Project

LuPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pb atoms to form a mixture of corner and face-sharing LuPb12 cuboctahedra. All Lu–Pb bond lengths are 3.44 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on URh3 by Materials Project

URh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Rh atoms to form a mixture of face and corner-sharing URh12 cuboctahedra. All U–Rh bond lengths are 2.85 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent U atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpRh3 by Materials Project

NpRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to twelve equivalent Rh atoms to form a mixture of face and corner-sharing NpRh12 cuboctahedra. All Np–Rh bond lengths are 2.83 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Np atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSn3 by Materials Project

Sn3Tb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Sn atoms to form a mixture of face and corner-sharing TbSn12 cuboctahedra. All Tb–Sn bond lengths are 3.34 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSn3 by Materials Project

YSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Sn atoms to form a mixture of face and corner-sharing YSn12 cuboctahedra. All Y–Sn bond lengths are 3.34 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuPd3 by Materials Project

LuPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pd atoms to form a mixture of face and corner-sharing LuPd12 cuboctahedra. All Lu–Pd bond lengths are 2.89 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScIr3 by Materials Project

ScIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Ir atoms to form a mixture of face and corner-sharing ScIr12 cuboctahedra. All Sc–Ir bond lengths are 2.79 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPt3 by Materials Project

PrPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pt atoms to form a mixture of face and corner-sharing PrPt12 cuboctahedra. All Pr–Pt bond lengths are 2.99 Å. Pt is bonded in a distorted square co-planar geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗