cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1350300
title: Materials Data on CeSbAu by Materials Project

description: CeAuSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent Au1- and six equivalent Sb2- atoms to form a mixture of face and edge-sharing CeSb6Au6 cuboctahedra. All Ce–Au bond lengths are 3.38 Å. All Ce–Sb bond lengths are 3.38 Å. Au1- is bonded in a 3-coordinate geometry to six equivalent Ce3+ and three equivalent Sb2- atoms. All Au–Sb bond lengths are 2.72 Å. Sb2- is bonded in a 3-coordinate geometry to six equivalent Ce3+ and three equivalent Au1- atoms.
DOI: 10.17188/1350301
title: Materials Data on HfSb2 by Materials Project

description: HfSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Hf–Sb bond distances ranging from 3.03–3.10 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded to five equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing SbHf5 trigonal bipyramids. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Hf4+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 2.93 Å.
DOI: 10.17188/1350304
title: Materials Data on HoCuSn by Materials Project

description: HoCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing HoCu6Sn6 cuboctahedra. All Ho–Cu bond lengths are 3.19 Å. All Ho–Sn bond lengths are 3.19 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.61 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Cu atoms.
DOI: 10.17188/1350305
title: Materials Data on ErZnIn by Materials Project

description: ErZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of face and edge-sharing ErZn6In6 cuboctahedra. All Er–Zn bond lengths are 3.23 Å. All Er–In bond lengths are 3.23 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Zn–In bond lengths are 2.69 Å. In is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms.
DOI: 10.17188/1350306
title: Materials Data on LaSbTe by Materials Project

description: LaSbTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to four equivalent Sb1- and five equivalent Te2- atoms. All La–Sb bond lengths are 3.49 Å. There are four shorter (3.26 Å) and one longer (3.38 Å) La–Te bond lengths. Sb1- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb1- atoms. All Sb–Sb bond lengths are 3.13 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent La3+ atoms.
DOI: 10.17188/1350307
title: Materials Data on EuCdSn by Materials Project

description: EuCdSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Cd and six equivalent Sn atoms. There are three shorter (3.30 Å) and three longer (3.70 Å) Eu–Cd bond lengths. There are three shorter (3.32 Å) and three longer (3.67 Å) Eu–Sn bond lengths. Cd is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Sn atoms. There are three shorter (2.96 Å) and one longer (3.25 Å) Cd–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Cd atoms.
DOI: 10.17188/1350308
title: Materials Data on NiPRh by Materials Project

description: RhNiP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Rh is bonded in a 1-coordinate geometry to four equivalent Ni and five equivalent P atoms. All Rh–Ni bond lengths are 2.79 Å. There are one shorter (2.28 Å) and four longer (2.58 Å) Rh–P bond lengths. Ni is bonded to four equivalent Rh and four equivalent P atoms to form a mixture of distorted edge and face-sharing NiP4Rh4 cuboctahedra. All Ni–P bond lengths are 2.28 Å. P is bonded in a 9-coordinate geometry to five equivalent Rh and four equivalent Ni atoms.
DOI: 10.17188/1350309
title: Materials Data on MnS2 by Materials Project

description: MnS2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two shorter (2.25 Å) and four longer (2.28 Å) Mn–S bond lengths. S2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ atoms.
DOI: 10.17188/1350310
title: Materials Data on LiMnSb by Materials Project

description: LiMnSb is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with four equivalent LiSb4 tetrahedra, corners with twelve equivalent MnSb4 tetrahedra, edges with two equivalent MnSb4 tetrahedra, and edges with four equivalent LiSb4 tetrahedra. All Li–Sb bond lengths are 2.84 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with four equivalent MnSb4 tetrahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with two equivalent LiSb4 tetrahedra, and edges with four equivalent MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.74 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1350311
title: Materials Data on Ca2H3Br by Materials Project

description: Ca2H3Br crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent Br1- atoms. There are a spread of Ca–H bond distances ranging from 2.27–2.59 Å. All Ca–Br bond lengths are 3.14 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Ca2+ atoms to form HCa4 trigonal pyramids that share corners with three equivalent HCa6 octahedra, corners with six equivalent BrCa6 octahedra, corners with six equivalent HCa4 trigonal pyramids, edges with three equivalent BrCa6 octahedra, edges with three equivalent HCa4 trigonal pyramids, and faces with three equivalent HCa6 octahedra. The corner-sharing octahedra tilt angles range from 36–46°. In the second H1- site, H1- is bonded to six equivalent Ca2+ atoms to form HCa6 octahedra that share corners with twelve equivalent BrCa6 octahedra, corners with six equivalent HCa4 trigonal pyramids, edges with six equivalent HCa6 octahedra, faces with two equivalent BrCa6 octahedra, and faces with six equivalent HCa4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Br1- is bonded to six equivalent Ca2+ atoms to form distorted BrCa6 octahedra that share corners with twelve equivalent HCa6 octahedra, corners with twelve equivalent HCa4 trigonal pyramids, edges with six equivalent BrCa6 octahedra, edges with six equivalent HCa4 trigonal pyramids, and faces with two equivalent HCa6 octahedra. The corner-sharing octahedral tilt angles are 49°.
DOI: 10.17188/1350312
title: Materials Data on MgCoGe by Materials Project

description: MgCoGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to four equivalent Co and five equivalent Ge atoms. All Mg–Co bond lengths are 2.78 Å. There are one shorter (2.79 Å) and four longer (2.82 Å) Mg–Ge bond lengths. Co is bonded in a 12-coordinate geometry to four equivalent Mg and four equivalent Ge atoms. All Co–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Mg and four equivalent Co atoms.
DOI: 10.17188/1350313
title: Materials Data on GdAlZn by Materials Project

description: GdZnAl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to six equivalent Zn and six equivalent Al atoms to form a mixture of edge and face-sharing GdAl6Zn6 cuboctahedra. All Gd–Zn bond lengths are 3.17 Å. All Gd–Al bond lengths are 3.17 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Al atoms. All Zn–Al bond lengths are 2.61 Å. Al is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Zn atoms.
DOI: 10.17188/1350314
title: Materials Data on ReC2 by Materials Project

description: ReC2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re6+ is bonded in a linear geometry to two equivalent C3- atoms. Both Re–C bond lengths are 2.36 Å. C3- is bonded to one Re6+ and three equivalent C3- atoms to form corner-sharing CReC3 tetrahedra. All C–C bond lengths are 1.52 Å.
DOI: 10.17188/1350315
title: Materials Data on PrPbAu by Materials Project

description: PrAuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Au and six equivalent Pb atoms to form a mixture of edge and face-sharing PrPb6Au6 cuboctahedra. All Pr–Au bond lengths are 3.44 Å. All Pr–Pb bond lengths are 3.44 Å. Au is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pb atoms. All Au–Pb bond lengths are 2.83 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Au atoms.
DOI: 10.17188/1350316
title: Materials Data on Li3LaAs2 by Materials Project

description: Li3LaAs2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six equivalent As3- atoms to form LiAs6 octahedra that share corners with twelve equivalent LaAs6 octahedra, corners with six equivalent LiAs4 tetrahedra, edges with six equivalent LiAs6 octahedra, faces with two equivalent LaAs6 octahedra, and faces with six equivalent LiAs4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. All Li–As bond lengths are 3.04 Å. In the second Li1+ site, Li1+ is bonded to four equivalent As3- atoms to form LiAs4 tetrahedra that share corners with three equivalent LiAs6 octahedra, corners with six equivalent LaAs6 octahedra, corners with six equivalent LiAs4 tetrahedra, edges with three equivalent LaAs6 octahedra, edges with three equivalent LiAs4 tetrahedra, and faces with three equivalent LiAs6 octahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are three shorter (2.61 Å) and one longer (2.72 Å) Li–As bond lengths. La3+ is bonded to six equivalent As3- atoms to form LaAs6 octahedra that share corners with twelve equivalent LiAs6 octahedra, corners with twelve equivalent LiAs4 tetrahedra, edges with six equivalent LaAs6 octahedra, edges with six equivalent LiAs4 tetrahedra, and faces with two equivalent LiAs6 octahedra. The corner-sharing octahedral tilt angles are 48°. All La–As bond lengths are 3.11 Å. As3- is bonded in a 10-coordinate geometry to seven Li1+ and three equivalent La3+ atoms.
DOI: 10.17188/1350317
title: Materials Data on PrSbPt by Materials Project

description: PrPtSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted edge and face-sharing PrSb6Pt6 cuboctahedra. There are three shorter (3.17 Å) and three longer (3.55 Å) Pr–Pt bond lengths. There are three shorter (3.29 Å) and three longer (3.41 Å) Pr–Sb bond lengths. Pt2- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.68 Å. Sb1- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1350318
title: Materials Data on HfVSi by Materials Project

description: HfVSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to four equivalent V and five equivalent Si atoms. All Hf–V bond lengths are 3.17 Å. There are four shorter (2.71 Å) and one longer (2.82 Å) Hf–Si bond lengths. V is bonded in a 12-coordinate geometry to four equivalent Hf, four equivalent V, and four equivalent Si atoms. All V–V bond lengths are 2.59 Å. All V–Si bond lengths are 2.55 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent V atoms.
DOI: 10.17188/1350319
title: Materials Data on Li3HoSb2 by Materials Project

description: Li3HoSb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with three equivalent LiSb6 octahedra, corners with six equivalent HoSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with three equivalent HoSb6 octahedra, edges with three equivalent LiSb4 tetrahedra, and faces with three equivalent LiSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–56°. There are three shorter (2.73 Å) and one longer (2.88 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with twelve equivalent HoSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with six equivalent LiSb6 octahedra, faces with two equivalent HoSb6 octahedra, and faces with six equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. All Li–Sb bond lengths are 3.19 Å. Ho3+ is bonded to six equivalent Sb3- atoms to form HoSb6 octahedra that share corners with twelve equivalent LiSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with six equivalent HoSb6 octahedra, edges with six equivalent LiSb4 tetrahedra, and faces with two equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ho–Sb bond lengths are 3.16 Å. Sb3- is bonded in a 10-coordinate geometry to seven Li1+ and three equivalent Ho3+ atoms.
DOI: 10.17188/1350320
title: Materials Data on PrCuSn by Materials Project

description: PrCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing PrCu6Sn6 cuboctahedra. All Pr–Cu bond lengths are 3.32 Å. All Pr–Sn bond lengths are 3.32 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.65 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cu atoms.
DOI: 10.17188/1350321
title: Materials Data on LaSbPd by Materials Project

description: LaPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of face and edge-sharing LaSb6Pd6 cuboctahedra. All La–Pd bond lengths are 3.38 Å. All La–Sb bond lengths are 3.38 Å. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.69 Å. Sb is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.
DOI: 10.17188/1350322
title: Materials Data on Ba2H3I by Materials Project

description: Ba2H3I crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent I1- atoms. There are a spread of Ba–H bond distances ranging from 2.64–3.02 Å. All Ba–I bond lengths are 3.67 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Ba2+ atoms to form HBa4 trigonal pyramids that share corners with three equivalent HBa6 octahedra, corners with six equivalent IBa6 octahedra, corners with six equivalent HBa4 trigonal pyramids, edges with three equivalent IBa6 octahedra, edges with three equivalent HBa4 trigonal pyramids, and faces with three equivalent HBa6 octahedra. The corner-sharing octahedra tilt angles range from 37–45°. In the second H1- site, H1- is bonded to six equivalent Ba2+ atoms to form HBa6 octahedra that share corners with twelve equivalent IBa6 octahedra, corners with six equivalent HBa4 trigonal pyramids, edges with six equivalent HBa6 octahedra, faces with two equivalent IBa6 octahedra, and faces with six equivalent HBa4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. I1- is bonded to six equivalent Ba2+ atoms to form distorted IBa6 octahedra that share corners with twelve equivalent HBa6 octahedra, corners with twelve equivalent HBa4 trigonal pyramids, edges with six equivalent IBa6 octahedra, edges with six equivalent HBa4 trigonal pyramids, and faces with two equivalent HBa6 octahedra. The corner-sharing octahedral tilt angles are 49°.
DOI: 10.17188/1350323
title: Materials Data on SmGeRu by Materials Project

description: SmRuGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Ge atoms. All Sm–Ru bond lengths are 3.02 Å. There are four shorter (3.15 Å) and one longer (3.32 Å) Sm–Ge bond lengths. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Ru atoms.
DOI: 10.17188/1350324
title: Materials Data on MgAgSb by Materials Project

description: MgAgSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mg2+ is bonded to five equivalent Sb3- atoms to form a mixture of corner and edge-sharing MgSb5 square pyramids. There are one shorter (2.89 Å) and four longer (3.15 Å) Mg–Sb bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Ag–Sb bond lengths are 2.95 Å. Sb3- is bonded in a 9-coordinate geometry to five equivalent Mg2+ and four equivalent Ag1+ atoms.
DOI: 10.17188/1350325
title: Materials Data on CeSi2Mo2C by Materials Project

description: CeMo2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Ce–Si bond lengths are 3.21 Å. Both Ce–C bond lengths are 2.68 Å. Mo+4.50+ is bonded to four equivalent Si4- and two equivalent C4- atoms to form a mixture of distorted corner, edge, and face-sharing MoSi4C2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–Si bond lengths are 2.59 Å. Both Mo–C bond lengths are 2.11 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Mo+4.50+, and one Si4- atom. The Si–Si bond length is 2.35 Å. C4- is bonded to two equivalent Ce3+ and four equivalent Mo+4.50+ atoms to form corner-sharing CCe2Mo4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350326
title: Materials Data on DyS2 by Materials Project

description: DyS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Dy–S bond distances ranging from 2.83–2.92 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.73 Å.
DOI: 10.17188/1350327
title: Materials Data on RuN2 by Materials Project

description: RuN2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ru6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ru–N bond lengths are 2.25 Å. N3- is bonded in a 5-coordinate geometry to four equivalent Ru6+ and one N3- atom. The N–N bond length is 1.32 Å.
DOI: 10.17188/1350328
title: Materials Data on EuBiAu by Materials Project

description: EuAuBi crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Bi atoms. There are three shorter (3.20 Å) and three longer (3.82 Å) Eu–Au bond lengths. There are three shorter (3.37 Å) and three longer (3.61 Å) Eu–Bi bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Bi atoms. There are three shorter (2.93 Å) and one longer (3.29 Å) Au–Bi bond lengths. Bi is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Au atoms.
DOI: 10.17188/1350329
title: Materials Data on DyZnGa by Materials Project

description: DyZnGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent Ga atoms to form a mixture of edge and face-sharing DyZn6Ga6 cuboctahedra. All Dy–Zn bond lengths are 3.12 Å. All Dy–Ga bond lengths are 3.12 Å. Zn is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.55 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms.
DOI: 10.17188/1350330
title: Materials Data on SmFeSi by Materials Project

description: SmFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 9-coordinate geometry to four equivalent Fe2+ and five equivalent Si4- atoms. All Sm–Fe bond lengths are 2.94 Å. There are four shorter (3.02 Å) and one longer (3.49 Å) Sm–Si bond lengths. Fe2+ is bonded in a 8-coordinate geometry to four equivalent Sm2+ and four equivalent Si4- atoms. All Fe–Si bond lengths are 2.32 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sm2+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1350331
title: Materials Data on PrZnIn by Materials Project

description: PrZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of edge and face-sharing PrZn6In6 cuboctahedra. All Pr–Zn bond lengths are 3.36 Å. All Pr–In bond lengths are 3.36 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Zn–In bond lengths are 2.75 Å. In is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Zn atoms.
DOI: 10.17188/1350332
title: Materials Data on PdCl2 by Materials Project

description: PdCl2 crystallizes in the monoclinic P2/m space group. The structure is one-dimensional and consists of two PdCl2 ribbons oriented in the (0, 1, 0) direction. Pd2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.33 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Pd2+ atoms.