147,196 Works

Materials Data on LaH4C4NO8 by Materials Project

La(CO2)4NH4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four ammonium molecules and one La(CO2)4 framework. In the La(CO2)4 framework, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.50–2.73 Å. There are four inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O...

Materials Data on PbSO4 by Materials Project

PbSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.60–3.07 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted...

Materials Data on Ba5As3 by Materials Project

Ba5As3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted T-shaped geometry to three equivalent As atoms. There are two shorter (3.31 Å) and one longer (3.35 Å) Ba–As bond lengths. In the second Ba site, Ba is bonded to six equivalent As atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 octahedra....

Materials Data on Pr3AlC by Materials Project

Pr3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Pr–Al bond lengths are 3.63 Å. Both Pr–C bond lengths are 2.57 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 cuboctahedra, and faces...

Materials Data on Ge2Os by Materials Project

OsGe2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Os is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.53–2.73 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to three equivalent Os and three equivalent Ge atoms. There are one shorter (2.41 Å) and two...

Materials Data on Tb3AlC by Materials Project

Tb3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tb3Al framework. In the Tb3Al framework, Tb is bonded in a linear geometry to two equivalent Al atoms. Both Tb–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Tb atoms to form corner-sharing AlTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Materials Data on Mn3B4 by Materials Project

Mn3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.19 Å. In the second Mn2+ site, Mn2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are eight shorter (2.27 Å) and...

Materials Data on UB2Os3 by Materials Project

UOs3B2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U6+ is bonded to twelve Os2- atoms to form UOs12 cuboctahedra that share corners with twelve equivalent UOs12 cuboctahedra, edges with six equivalent UOs12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent UOs12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. There are four shorter (3.15 Å) and eight longer (3.16 Å) U–Os bond lengths. There are two...

Materials Data on Tb(Ni2B)6 by Materials Project

Tb(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Tb3+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Tb–B bond distances ranging from 2.99–3.29 Å. There are seven inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of distorted edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging...

Materials Data on Mn(NbS2)3 by Materials Project

MnNb3S6 is Ilmenite-like structured and crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent Nb+3.33+ sites. In the first Nb+3.33+ site, Nb+3.33+ is bonded to six equivalent S2- atoms to form distorted NbS6 pentagonal pyramids that share corners with three equivalent MnS6 octahedra, edges with six NbS6 pentagonal pyramids, and a faceface with one MnS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three shorter (2.49 Å)...

Materials Data on Np by Materials Project

Np is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Np is bonded in a distorted body-centered cubic geometry to eight equivalent Np atoms. All Np–Np bond lengths are 2.85 Å.

Materials Data on MnCoSi by Materials Project

MnCoSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn2+ is bonded in a 3-coordinate geometry to five equivalent Co2+ and six equivalent Si4- atoms. There are three shorter (2.29 Å) and two longer (2.53 Å) Mn–Co bond lengths. All Mn–Si bond lengths are 2.62 Å. Co2+ is bonded in a 3-coordinate geometry to five equivalent Mn2+ and six equivalent Si4- atoms. All Co–Si bond lengths are 2.62 Å. Si4- is bonded...

Materials Data on Nb2Co3Si by Materials Project

Nb2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.87 Å) and three longer (2.95 Å) Nb–Nb bond lengths. There are three shorter (2.72 Å) and six longer (2.83 Å) Nb–Co bond lengths. All Nb–Si bond lengths are 2.85 Å. Co is bonded to...

Materials Data on Cr3PdN by Materials Project

PdNCr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Pd and two equivalent N atoms. All Cr–Pd bond lengths are 2.72 Å. Both Cr–N bond lengths are 1.92 Å. Pd is bonded to twelve equivalent Cr atoms to form PdCr12 cuboctahedra that share corners with twelve equivalent PdCr12 cuboctahedra, faces with six equivalent PdCr12 cuboctahedra, and faces...

Materials Data on Cr3SnN by Materials Project

Cr3SnN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Sn and two equivalent N atoms. All Cr–Sn bond lengths are 2.78 Å. Both Cr–N bond lengths are 1.97 Å. Sn is bonded to twelve equivalent Cr atoms to form SnCr12 cuboctahedra that share corners with twelve equivalent SnCr12 cuboctahedra, faces with six equivalent SnCr12 cuboctahedra, and faces...

Materials Data on Eu(Cu2As)2 by Materials Project

Eu(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent As3- atoms to form edge-sharing EuAs6 octahedra. All Eu–As bond lengths are 3.04 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.47 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted...

Materials Data on CeSiO4 by Materials Project

CeSiO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.32 Å) and four longer (2.43 Å) Ce–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.65 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ce4+ and one Si4+...

Materials Data on SmPPt by Materials Project

SmPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of edge and face-sharing SmP6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.13 Å. All Sm–P bond lengths are 3.13 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent P1- atoms. All Pt–P bond lengths are...

Materials Data on Pa by Materials Project

Pa is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Pa atoms to form a mixture of face, edge, and corner-sharing PaPa12 cuboctahedra. All Pa–Pa bond lengths are 3.29 Å.

Materials Data on Te2Ir by Materials Project

IrTe2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent Te2- atoms to form a mixture of corner and edge-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.66 Å) and four longer (2.69 Å) Ir–Te bond lengths. Te2- is bonded in a distorted trigonal planar geometry to three equivalent Ir4+ atoms.

Materials Data on YbGa4 by Materials Project

YbGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.31 Å) and eight longer (3.45 Å) Yb–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 Yb and five Ga atoms. There are one shorter (2.45 Å) and four longer (2.61 Å) Ga–Ga...

Materials Data on FeSe by Materials Project

FeSe is Modderite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Fe–Se bond lengths are 2.53 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Fe2+ atoms.

Materials Data on ZrAlPt2 by Materials Project

ZrPt2Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to eight equivalent Pt and three equivalent Al atoms. There are two shorter (2.75 Å) and six longer (2.96 Å) Zr–Pt bond lengths. All Zr–Al bond lengths are 2.62 Å. Pt is bonded in a 1-coordinate geometry to four equivalent Zr, four equivalent Pt, and three equivalent Al atoms. There are one shorter (2.75 Å) and...

Materials Data on PrAl by Materials Project

PrAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pr–Al bond lengths are 3.25 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

Materials Data on BaPSe3 by Materials Project

BaPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.37–3.87 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.20 Å) and two longer (2.21 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded...

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