cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196260
title: Materials Data on Y3PbC by Materials Project

description: Y3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Y–Pb bond lengths are 3.48 Å. Both Y–C bond lengths are 2.46 Å. Pb is bonded to twelve equivalent Y atoms to form PbY12 cuboctahedra that share corners with twelve equivalent PbY12 cuboctahedra, faces with six equivalent PbY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent PbY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196261
title: Materials Data on Cr2FeS4 by Materials Project

description: FeCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.42 Å. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Fe–S bond lengths are 2.31 Å. S2- is bonded to three equivalent Cr3+ and one Fe2+ atom to form a mixture of distorted edge and corner-sharing SCr3Fe trigonal pyramids.
DOI: 10.17188/1196262
title: Materials Data on PrGe by Materials Project

description: PrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to seven equivalent Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.12–3.37 Å. Ge is bonded in a 9-coordinate geometry to seven equivalent Pr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å.
DOI: 10.17188/1196263
title: Materials Data on Sr2UO4 by Materials Project

description: Sr2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.35–3.14 Å. U4+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.19 Å) and four longer (2.21 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to five equivalent Sr2+ and one U4+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent U4+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196264
title: Materials Data on Mo3Se4 by Materials Project

description: Mo3Se4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.67+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.56–2.65 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Mo+2.67+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Mo+2.67+ atoms.
DOI: 10.17188/1196265
title: Materials Data on Nd3InN by Materials Project

description: Nd3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Nd–In bond lengths are 3.56 Å. Both Nd–N bond lengths are 2.52 Å. In is bonded to twelve equivalent Nd atoms to form InNd12 cuboctahedra that share corners with twelve equivalent InNd12 cuboctahedra, faces with six equivalent InNd12 cuboctahedra, and faces with eight equivalent NNd6 octahedra. N is bonded to six equivalent Nd atoms to form NNd6 octahedra that share corners with six equivalent NNd6 octahedra and faces with eight equivalent InNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196266
title: Materials Data on Ti3SnC2 by Materials Project

description: Ti3SnC2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two 7440-31-5 molecules and two Ti3C2 sheets oriented in the (0, 0, 1) direction. In each Ti3C2 sheet, there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to six equivalent C4- atoms to form edge-sharing TiC6 octahedra. All Ti–C bond lengths are 2.22 Å. In the second Ti2+ site, Ti2+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. All Ti–C bond lengths are 2.09 Å. C4- is bonded to six Ti2+ atoms to form a mixture of corner and edge-sharing CTi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196267
title: Materials Data on SrIn2Pd by Materials Project

description: SrPdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (3.08 Å) and two longer (3.33 Å) Sr–Pd bond lengths. There are a spread of Sr–In bond distances ranging from 3.50–3.63 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.89 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Sr and three equivalent Pd atoms.
DOI: 10.17188/1196268
title: Materials Data on Nd2Cu2O5 by Materials Project

description: Nd2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.47–2.76 Å. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.91–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nd3+ and two equivalent Cu2+ atoms to form distorted ONd4Cu2 octahedra that share corners with four equivalent ONd3Cu2 square pyramids, edges with two equivalent ONd4Cu2 octahedra, and faces with four equivalent ONd3Cu2 square pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded to three equivalent Nd3+ and two equivalent Cu2+ atoms to form distorted ONd3Cu2 square pyramids that share corners with two equivalent ONd4Cu2 octahedra, corners with six equivalent ONd3Cu2 square pyramids, an edgeedge with one ONd3Cu2 square pyramid, and faces with two equivalent ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles are 51°.
DOI: 10.17188/1196269
title: Materials Data on Li2InPt by Materials Project

description: Li2PtIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent In atoms to form distorted corner-sharing LiIn4 tetrahedra. All Li–In bond lengths are 2.76 Å. In the second Li site, Li is bonded to four equivalent Pt atoms to form distorted corner-sharing LiPt4 tetrahedra. All Li–Pt bond lengths are 2.76 Å. Pt is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Pt–In bond lengths are 2.76 Å. In is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.
DOI: 10.17188/1196270
title: Materials Data on CaIn2Pt by Materials Project

description: CaPtIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to three equivalent Pt and ten equivalent In atoms. There are one shorter (3.00 Å) and two longer (3.18 Å) Ca–Pt bond lengths. There are a spread of Ca–In bond distances ranging from 3.37–3.52 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent In atoms. There are two shorter (2.81 Å) and four longer (2.84 Å) Pt–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ca and three equivalent Pt atoms.
DOI: 10.17188/1196271
title: Materials Data on Er3TlC by Materials Project

description: Er3TlC 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 Er3Tl framework. In the Er3Tl framework, Er is bonded in a linear geometry to two equivalent Tl atoms. Both Er–Tl bond lengths are 2.78 Å. Tl is bonded to six equivalent Er atoms to form corner-sharing TlEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196272
title: Materials Data on Li2InPd by Materials Project

description: Li2PdIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent In atoms to form distorted corner-sharing LiIn4 tetrahedra. All Li–In bond lengths are 2.78 Å. In the second Li site, Li is bonded to four equivalent Pd atoms to form distorted corner-sharing LiPd4 tetrahedra. All Li–Pd bond lengths are 2.78 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.
DOI: 10.17188/1196273
title: Materials Data on CuAu3 by Materials Project

description: Au3Cu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au+0.33- is bonded to eight equivalent Au+0.33- and four equivalent Cu1+ atoms to form distorted AuCu4Au8 cuboctahedra that share corners with twelve equivalent AuCu4Au8 cuboctahedra, edges with eight equivalent CuAu12 cuboctahedra, edges with sixteen equivalent AuCu4Au8 cuboctahedra, faces with four equivalent CuAu12 cuboctahedra, and faces with fourteen equivalent AuCu4Au8 cuboctahedra. All Au–Au bond lengths are 2.87 Å. All Au–Cu bond lengths are 2.87 Å. Cu1+ is bonded to twelve equivalent Au+0.33- atoms to form CuAu12 cuboctahedra that share corners with twelve equivalent CuAu12 cuboctahedra, edges with twenty-four equivalent AuCu4Au8 cuboctahedra, faces with six equivalent CuAu12 cuboctahedra, and faces with twelve equivalent AuCu4Au8 cuboctahedra.
DOI: 10.17188/1196274
title: Materials Data on Ti3Sn by Materials Project

description: Ti3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Sn atoms to form distorted TiTi8Sn4 cuboctahedra that share corners with four equivalent SnTi12 cuboctahedra, corners with fourteen equivalent TiTi8Sn4 cuboctahedra, edges with six equivalent SnTi12 cuboctahedra, edges with twelve equivalent TiTi8Sn4 cuboctahedra, faces with four equivalent SnTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Sn4 cuboctahedra. There are six shorter (2.91 Å) and two longer (3.00 Å) Ti–Ti bond lengths. There are two shorter (2.94 Å) and two longer (2.96 Å) Ti–Sn bond lengths. Sn is bonded to twelve equivalent Ti atoms to form SnTi12 cuboctahedra that share corners with six equivalent SnTi12 cuboctahedra, corners with twelve equivalent TiTi8Sn4 cuboctahedra, edges with eighteen equivalent TiTi8Sn4 cuboctahedra, faces with eight equivalent SnTi12 cuboctahedra, and faces with twelve equivalent TiTi8Sn4 cuboctahedra.
DOI: 10.17188/1196293
title: Materials Data on Pd3PbC by Materials Project

description: Pd3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded in a linear geometry to four equivalent Pb and two equivalent C atoms. All Pd–Pb bond lengths are 3.04 Å. Both Pd–C bond lengths are 2.15 Å. Pb is bonded to twelve equivalent Pd atoms to form PbPd12 cuboctahedra that share corners with twelve equivalent PbPd12 cuboctahedra, faces with six equivalent PbPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent PbPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196294
title: Materials Data on BaIn2Pt by Materials Project

description: BaPtIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to three equivalent Pt and ten equivalent In atoms. There are one shorter (3.27 Å) and two longer (3.49 Å) Ba–Pt bond lengths. There are a spread of Ba–In bond distances ranging from 3.63–3.78 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent In atoms. There are two shorter (2.83 Å) and four longer (2.88 Å) Pt–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ba and three equivalent Pt atoms.
DOI: 10.17188/1196295
title: Materials Data on La(GePd)2 by Materials Project

description: LaPd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All La–Pd bond lengths are 3.37 Å. All La–Ge bond lengths are 3.37 Å. Pd is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1196296
title: Materials Data on Sc3PbC by Materials Project

description: Sc3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Sc–Pb bond lengths are 3.23 Å. Both Sc–C bond lengths are 2.28 Å. Pb is bonded to twelve equivalent Sc atoms to form PbSc12 cuboctahedra that share corners with twelve equivalent PbSc12 cuboctahedra, faces with six equivalent PbSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent PbSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196297
title: Materials Data on U2FeS5 by Materials Project

description: U2FeS5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U+3.50+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.63–3.11 Å. Fe3+ is bonded to six S2- atoms to form corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Fe–S bond distances ranging from 2.41–2.44 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U+3.50+ and two equivalent Fe3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent U+3.50+ and one Fe3+ atom. In the third S2- site, S2- is bonded to four equivalent U+3.50+ atoms to form distorted edge-sharing SU4 trigonal pyramids.
DOI: 10.17188/1196298
title: Materials Data on Dy3Mn3Ga2Si by Materials Project

description: Dy3Mn3SiGa2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to six equivalent Mn, four equivalent Ga, and one Si atom. There are four shorter (3.17 Å) and two longer (3.31 Å) Dy–Mn bond lengths. All Dy–Ga bond lengths are 2.92 Å. The Dy–Si bond length is 2.88 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Dy, two equivalent Mn, two equivalent Ga, and two equivalent Si atoms. Both Mn–Mn bond lengths are 2.73 Å. Both Mn–Ga bond lengths are 2.86 Å. Both Mn–Si bond lengths are 2.51 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Mn atoms. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Mn atoms.
DOI: 10.17188/1196299
title: Materials Data on PbS by Materials Project

description: PbS is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Pb–S bond lengths are 3.16 Å. S2- is bonded in a body-centered cubic geometry to eight equivalent Pb2+ atoms.
DOI: 10.17188/1196300
title: Materials Data on UAs by Materials Project

description: UAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing UAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–As bond lengths are 2.90 Å. As3- is bonded to six equivalent U3+ atoms to form a mixture of edge and corner-sharing AsU6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196301
title: Materials Data on Zr2Fe3Ge by Materials Project

description: Zr2Fe3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to nine equivalent Fe and three equivalent Ge atoms. There are six shorter (2.93 Å) and three longer (2.94 Å) Zr–Fe bond lengths. All Zr–Ge bond lengths are 2.95 Å. Fe is bonded to six equivalent Zr, four equivalent Fe, and two equivalent Ge atoms to form FeZr6Fe4Ge2 cuboctahedra that share corners with four equivalent GeZr6Fe6 cuboctahedra, corners with fourteen equivalent FeZr6Fe4Ge2 cuboctahedra, edges with six equivalent FeZr6Fe4Ge2 cuboctahedra, faces with six equivalent GeZr6Fe6 cuboctahedra, and faces with twelve equivalent FeZr6Fe4Ge2 cuboctahedra. There are two shorter (2.42 Å) and two longer (2.60 Å) Fe–Fe bond lengths. Both Fe–Ge bond lengths are 2.54 Å. Ge is bonded to six equivalent Zr and six equivalent Fe atoms to form GeZr6Fe6 cuboctahedra that share corners with twelve equivalent FeZr6Fe4Ge2 cuboctahedra, edges with six equivalent GeZr6Fe6 cuboctahedra, faces with two equivalent GeZr6Fe6 cuboctahedra, and faces with eighteen equivalent FeZr6Fe4Ge2 cuboctahedra.
DOI: 10.17188/1196302
title: Materials Data on Tb(FeP3)4 by Materials Project

description: TbFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Tb3+ is bonded to twelve equivalent P1- atoms to form TbP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Tb–P bond lengths are 2.98 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent TbP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Tb3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.35 Å) P–P bond lengths.
DOI: 10.17188/1196303
title: Materials Data on Te4Pt3 by Materials Project

description: Pt3Te4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Pt3Te4 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Pt+2.67+ sites. In the first Pt+2.67+ site, Pt+2.67+ is bonded in a T-shaped geometry to three Te2- atoms. There are two shorter (2.69 Å) and one longer (2.74 Å) Pt–Te bond lengths. In the second Pt+2.67+ site, Pt+2.67+ is bonded in a linear geometry to two equivalent Te2- atoms. Both Pt–Te bond lengths are 2.58 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Pt+2.67+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two Pt+2.67+ atoms.
DOI: 10.17188/1196304
title: Materials Data on RbPbF3 by Materials Project

description: RbPbF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent PbF6 octahedra. All Rb–F bond lengths are 3.44 Å. Pb2+ is bonded to six equivalent F1- atoms to form PbF6 octahedra that share corners with six equivalent PbF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–F bond lengths are 2.43 Å. F1- is bonded to four equivalent Rb1+ and two equivalent Pb2+ atoms to form a mixture of distorted corner, edge, and face-sharing FRb4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1196305
title: Materials Data on NdGeRh by Materials Project

description: NdRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to four equivalent Rh and five equivalent Ge atoms. There are a spread of Nd–Rh bond distances ranging from 3.05–3.15 Å. All Nd–Ge bond lengths are 3.13 Å. Rh is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.58–2.67 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Nd and four equivalent Rh atoms.
DOI: 10.17188/1196306
title: Materials Data on DyAgGe by Materials Project

description: DyAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Ag and six equivalent Ge atoms. There are one shorter (2.92 Å) and four longer (3.06 Å) Dy–Ag bond lengths. There are two shorter (3.23 Å) and four longer (3.30 Å) Dy–Ge bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ge atoms. All Ag–Ge bond lengths are 2.74 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Ge atoms. All Ag–Ge bond lengths are 2.85 Å. Ge is bonded in a distorted q6 geometry to six equivalent Dy and four Ag atoms.
DOI: 10.17188/1196307
title: Materials Data on U(GeIr)2 by Materials Project

description: UIr2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All U–Ir bond lengths are 3.33 Å. All U–Ge bond lengths are 3.17 Å. Ir is bonded to four equivalent U and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing IrU4Ge4 tetrahedra. All Ir–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å.
DOI: 10.17188/1196308
title: Materials Data on CrP by Materials Project

description: CrP is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent P3- atoms to form a mixture of distorted face, edge, and corner-sharing CrP6 pentagonal pyramids. There are a spread of Cr–P bond distances ranging from 2.31–2.41 Å. P3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ atoms.