147,196 Works

Materials Data on CeBPt2 by Materials Project

CePt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Ce3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of corner, edge, and face-sharing CeB4Pt8 cuboctahedra. There are four shorter (3.10 Å) and four longer (3.13 Å) Ce–Pt bond lengths. All Ce–B bond lengths are 3.05 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent Ce3+ and two equivalent B3- atoms....

Materials Data on NaSr3SbO6 by Materials Project

Sr3NaSbO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.43 Å. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.95 Å. Sb5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.04 Å. O2-...

Materials Data on Ba2LiOsO6 by Materials Project

Ba2LiOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.19 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve...

Materials Data on Nd(AlGe)2 by Materials Project

NdAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd is bonded to six equivalent Ge atoms to form distorted NdGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent NdGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Nd–Ge bond lengths are 3.09 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent NdGe6 octahedra, corners...

Materials Data on TlSe by Materials Project

TlSe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se1- atoms. All Tl–Se bond lengths are 3.25 Å. Se1- is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms.

Materials Data on PrRh3C by Materials Project

PrRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Rh atoms to form PrRh12 cuboctahedra that share corners with twelve equivalent PrRh12 cuboctahedra, faces with six equivalent PrRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Pr–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Pr and two equivalent C atoms to form a mixture of distorted...

Materials Data on MgNi3C by Materials Project

MgCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni atoms to form MgNi12 cuboctahedra that share corners with twelve equivalent MgNi12 cuboctahedra, faces with six equivalent MgNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. All Mg–Ni bond lengths are 2.69 Å. Ni is bonded in a distorted linear geometry to four equivalent Mg and two equivalent C atoms. Both...

Materials Data on ReC by Materials Project

ReC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing ReC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Re–C bond lengths are 2.18 Å. C4- is bonded to six equivalent Re4+ atoms to form a mixture of edge and corner-sharing CRe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Materials Data on VSi2 by Materials Project

VSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. V is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of V–Si bond distances ranging from 2.51–2.67 Å. Si is bonded in a 10-coordinate geometry to five equivalent V and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.67 Å.

Materials Data on RbSmSe2 by Materials Project

RbSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Se bond lengths are 3.48 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6...

Materials Data on BaSbAu by Materials Project

BaAuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Au1+ and five equivalent Sb3- atoms to form a mixture of distorted corner and face-sharing BaSb5Au6 trigonal bipyramids. All Ba–Au bond lengths are 3.71 Å. There are three shorter (3.28 Å) and two longer (3.45 Å) Ba–Sb bond lengths. Au1+ is bonded in a distorted body-centered cubic geometry to six equivalent Ba2+ and two equivalent Au1+ atoms....

Materials Data on SmPPd by Materials Project

SmPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing SmP6Pd6 cuboctahedra. All Sm–Pd bond lengths are 3.11 Å. All Sm–P bond lengths are 3.11 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent P atoms. All Pd–P bond lengths are...

Materials Data on Zr5ZnSb3 by Materials Project

Zr5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded...

Materials Data on ScAlAu2 by Materials Project

ScAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sc–Au bond lengths are 2.86 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Au–Al bond lengths are 2.86 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

Materials Data on CeAl by Materials Project

CeAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ce–Al bond lengths are 3.18 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

Materials Data on Np(GePd)2 by Materials Project

Np(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Np–Pd bond lengths are 3.38 Å. All Np–Ge bond lengths are 3.21 Å. Pd is bonded to four equivalent Np and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing PdNp4Ge4 tetrahedra. All Pd–Ge bond lengths are 2.53 Å. Ge is...

Materials Data on DyAgSb2 by Materials Project

DyAgSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.17 Å) and four longer (3.30 Å) Dy–Sb bond lengths. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent Sb2- atoms. All Ag–Ag bond lengths are 3.06 Å. All Ag–Sb bond lengths are 2.91 Å. There are two inequivalent Sb2- sites. In the...

Materials Data on Tb2Cu(GeO3)4 by Materials Project

Tb2Cu(GeO3)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.59 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.98 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing...

Materials Data on La5Si3 by Materials Project

La5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La+2.40+ sites. In the first La+2.40+ site, La+2.40+ is bonded to six Si4- atoms to form LaSi6 octahedra that share corners with six equivalent LaSi6 octahedra, corners with sixteen equivalent LaSi5 trigonal bipyramids, and faces with eight equivalent LaSi5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–58°. There are four shorter (3.24 Å) and two longer (3.47...

Materials Data on YbAgSn by Materials Project

YbAgSn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. All Yb–Ag bond lengths are 3.49 Å. All Yb–Sn bond lengths are 3.20 Å. In the second Yb site, Yb is bonded to six Ag and six Sn atoms to form a mixture of distorted edge...

Materials Data on Sr2Si by Materials Project

Sr2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- atoms. There are one shorter (3.26 Å) and two longer (3.46 Å) Sr–Si bond lengths. In the second Sr2+ site, Sr2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and...

Materials Data on Na2MgPO4F by Materials Project

Na2Mg(PO4)F crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to five O2- and two F1- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.98 Å. There are one shorter (2.39 Å) and one longer (2.70 Å) Na–F bond lengths. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry...

Materials Data on BaZnCO3F2 by Materials Project

BaZn(CO3)F2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- and six equivalent F1- atoms to form BaO6F6 cuboctahedra that share edges with six equivalent BaO6F6 cuboctahedra, edges with six equivalent ZnO3F2 trigonal bipyramids, and faces with two equivalent BaO6F6 cuboctahedra. All Ba–O bond lengths are 3.04 Å. All Ba–F bond lengths are 2.88 Å. Zn2+ is bonded to three equivalent O2- and two equivalent F1-...

Materials Data on Sr2Mg17 by Materials Project

Mg17Sr2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to twenty Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.63–3.98 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to twelve Mg atoms. There are six shorter (3.68 Å)...

Materials Data on Sc2PbS4 by Materials Project

Sc2PbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing ScS6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Sc–S bond distances ranging from 2.55–2.64 Å. In the second Sc3+ site, Sc3+ is bonded to six S2- atoms to form a...

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