cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1274860
title: Materials Data on ZrIr by Materials Project

description: ZrIr crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to seven Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.71–3.24 Å. In the second Zr site, Zr is bonded in a body-centered cubic geometry to eight Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.73–2.90 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Zr atoms. In the second Ir site, Ir is bonded in a 7-coordinate geometry to seven Zr atoms.
DOI: 10.17188/1274861
title: Materials Data on Pr(NiAs)2 by Materials Project

description: PrNi2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Pr–As bond lengths are 3.21 Å. Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.37 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Ni+1.50+, and one As3- atom. The As–As bond length is 2.69 Å.
DOI: 10.17188/1274862
title: Materials Data on Sr(AlCl4)2 (SG:61) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1274863
title: Materials Data on CuSe by Materials Project

description: CuSe crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of six CuSe sheets oriented in the (0, 0, 1) direction. Cu2+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.44 Å. Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Cu2+ atoms.
DOI: 10.17188/1274864
title: Materials Data on NdCo5 by Materials Project

description: NdCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.90 Å) and twelve longer (3.19 Å) Nd–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded to four equivalent Nd and eight Co atoms to form a mixture of face, edge, and corner-sharing CoNd4Co8 cuboctahedra. All Co–Co bond lengths are 2.51 Å.
DOI: 10.17188/1274865
title: Materials Data on GdScO3 by Materials Project

description: GdScO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.90 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are a spread of Sc–O bond distances ranging from 2.10–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Gd3+ and two equivalent Sc3+ atoms. In the second O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent Sc3+ atoms to form distorted corner-sharing OGd2Sc2 trigonal pyramids.
DOI: 10.17188/1274866
title: Materials Data on Sr2LiCoN2 by Materials Project

description: LiSr2CoN2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 2.03 Å. Sr2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing SrN4 tetrahedra. All Sr–N bond lengths are 2.67 Å. Co1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.81 Å. N3- is bonded to one Li1+, four equivalent Sr2+, and one Co1+ atom to form a mixture of edge and corner-sharing NSr4LiCo octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1274867
title: Materials Data on Y3ReB7 by Materials Project

description: Y3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.57–2.91 Å. In the second Y3+ site, Y3+ is bonded in a 12-coordinate geometry to fourteen B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.59–2.89 Å. Re6+ is bonded in a 5-coordinate geometry to five B+2.14- atoms. There are four shorter (2.29 Å) and one longer (2.35 Å) Re–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 3-coordinate geometry to four Y3+ and four B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.68–1.91 Å. In the second B+2.14- site, B+2.14- is bonded to four Y3+ and three B+2.14- atoms to form a mixture of distorted face, edge, and corner-sharing BY4B3 pentagonal bipyramids. The B–B bond length is 1.69 Å. In the third B+2.14- site, B+2.14- is bonded in a 3-coordinate geometry to six Y3+, one Re6+, and two equivalent B+2.14- atoms. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Y3+, two equivalent Re6+, and two B+2.14- atoms. The B–B bond length is 1.80 Å.
DOI: 10.17188/1274869
title: Materials Data on MoCl4 by Materials Project

description: MoCl4 crystallizes in the trigonal P-31m space group. The structure is zero-dimensional and consists of one MoCl4 cluster. Mo4+ is bonded to six Cl1- atoms to form edge-sharing MoCl6 octahedra. There are a spread of Mo–Cl bond distances ranging from 2.27–2.51 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Mo4+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo4+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Mo4+ atoms.
DOI: 10.17188/1274870
title: Materials Data on Sr(AsRh)2 by Materials Project

description: SrRh2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent As atoms. All Sr–As bond lengths are 3.33 Å. Rh is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.48 Å. As is bonded in a 8-coordinate geometry to four equivalent Sr and four equivalent Rh atoms.
DOI: 10.17188/1274871
title: Materials Data on Ga by Materials Project

description: Ga crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.89 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–3.01 Å. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight Ga atoms. There are one shorter (2.77 Å) and two longer (2.91 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a distorted q6 geometry to ten Ga atoms. In the fifth Ga site, Ga is bonded in a distorted octahedral geometry to six equivalent Ga atoms.
DOI: 10.17188/1274872
title: Materials Data on PdCl2 by Materials Project

description: PdCl2 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two PdCl2 ribbons oriented in the (1, 0, 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.
DOI: 10.17188/1274873
title: Materials Data on Cs(AsRh)2 by Materials Project

description: Cs(RhAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to eight equivalent As atoms. All Cs–As bond lengths are 3.73 Å. Rh is bonded to four equivalent As atoms to form a mixture of corner and edge-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.45 Å. As is bonded in a 8-coordinate geometry to four equivalent Cs and four equivalent Rh atoms.
DOI: 10.17188/1274895
title: Materials Data on Ho(SiAu)2 by Materials Project

description: Ho(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded to eight equivalent Si4- atoms to form HoSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent HoSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent HoSi8 hexagonal bipyramids. All Ho–Si bond lengths are 3.22 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent HoSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent HoSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.56 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ho3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.29 Å.
DOI: 10.17188/1274896
title: Materials Data on MgCuAs by Materials Project

description: MgCuAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five As3- atoms to form distorted MgAs5 square pyramids that share corners with eight MgAs5 square pyramids, corners with eight CuAs4 tetrahedra, edges with six MgAs5 square pyramids, and edges with six CuAs4 tetrahedra. There are a spread of Mg–As bond distances ranging from 2.68–2.88 Å. In the second Mg2+ site, Mg2+ is bonded to five As3- atoms to form distorted MgAs5 square pyramids that share corners with four equivalent MgAs5 square pyramids, corners with twelve CuAs4 tetrahedra, edges with eight MgAs5 square pyramids, and edges with four CuAs4 tetrahedra. There are a spread of Mg–As bond distances ranging from 2.69–2.85 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four As3- atoms to form CuAs4 tetrahedra that share corners with twelve MgAs5 square pyramids, corners with four CuAs4 tetrahedra, edges with four MgAs5 square pyramids, and edges with four CuAs4 tetrahedra. There are one shorter (2.55 Å) and three longer (2.57 Å) Cu–As bond lengths. In the second Cu1+ site, Cu1+ is bonded to four As3- atoms to form CuAs4 tetrahedra that share corners with eight MgAs5 square pyramids, corners with eight CuAs4 tetrahedra, edges with six MgAs5 square pyramids, and edges with two equivalent CuAs4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.56 Å) Cu–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to five Mg2+ and four Cu1+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to five Mg2+ and four Cu1+ atoms.
DOI: 10.17188/1274897
title: Materials Data on PdI2 by Materials Project

description: PdI2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two PdI2 ribbons oriented in the (1, 0, 0) direction. Pd2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Pd–I bond lengths are 2.63 Å. I1- is bonded in an L-shaped geometry to two equivalent Pd2+ atoms.
DOI: 10.5281/zenodo.4477883
title: Analysis of vegetation drag parameterizations for coastal hydrodynamic modeling - 2DLM simulation results

description: This <strong>2DLM.zip</strong> file contains the results of in total 12 idealized tidal flooding simulations using MPAS-Ocean, with the vegetation drag resolved by the <strong>2 D</strong>imensional <strong>L</strong>andcover-type-determined <strong>M</strong>anning (<strong>2DLM</strong>) parameterization. The zip file has 3 folders and 4 files in each folder. Each file is named by a marsh type considered in a simulation, and each folder is named by a tidal amplitude (in meter) that drives the simulations.
DOI: 10.17188/1274898
title: Materials Data on Mg3Bi2 by Materials Project

description: Mg3Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Bi atoms to form distorted MgBi4 tetrahedra that share corners with six equivalent MgBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent MgBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 9–59°. There are three shorter (2.95 Å) and one longer (3.04 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded to six equivalent Bi atoms to form MgBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent MgBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Mg–Bi bond lengths are 3.18 Å. Bi is bonded to seven Mg atoms to form a mixture of distorted corner and edge-sharing BiMg7 pentagonal bipyramids.
DOI: 10.17188/1274899
title: Materials Data on Gd3Ti2MnSi3 by Materials Project

description: Gd3Ti2MnSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to four equivalent Ti, two equivalent Mn, and five equivalent Si atoms. All Gd–Ti bond lengths are 3.38 Å. Both Gd–Mn bond lengths are 2.84 Å. There are a spread of Gd–Si bond distances ranging from 2.81–3.03 Å. Ti is bonded in a 6-coordinate geometry to six equivalent Gd, two equivalent Ti, and six equivalent Si atoms. Both Ti–Ti bond lengths are 2.92 Å. All Ti–Si bond lengths are 3.02 Å. Mn is bonded to six equivalent Gd atoms to form distorted face-sharing MnGd6 octahedra. Si is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Ti atoms.
DOI: 10.17188/1274900
title: Materials Data on InSb by Materials Project

description: InSb is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. In3+ is bonded to four equivalent Sb3- atoms to form a mixture of distorted corner and edge-sharing InSb4 trigonal pyramids. There are two shorter (3.09 Å) and two longer (3.10 Å) In–Sb bond lengths. Sb3- is bonded in a 6-coordinate geometry to four equivalent In3+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.22 Å.
DOI: 10.17188/1274902
title: Materials Data on Nb10Se40I3 by Materials Project

description: (NbSe4)10I3 crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. there are three inequivalent Nb+4.90+ sites. In the first Nb+4.90+ site, Nb+4.90+ is bonded to eight Se+1.15- atoms to form distorted face-sharing NbSe8 hexagonal bipyramids. There are a spread of Nb–Se bond distances ranging from 2.65–2.75 Å. In the second Nb+4.90+ site, Nb+4.90+ is bonded in a distorted hexagonal bipyramidal geometry to eight Se+1.15- atoms. There are four shorter (2.64 Å) and four longer (2.73 Å) Nb–Se bond lengths. In the third Nb+4.90+ site, Nb+4.90+ is bonded in a 8-coordinate geometry to eight Se+1.15- atoms. There are a spread of Nb–Se bond distances ranging from 2.61–2.77 Å. There are six inequivalent Se+1.15- sites. In the first Se+1.15- site, Se+1.15- is bonded in a 2-coordinate geometry to two Nb+4.90+ atoms. In the second Se+1.15- site, Se+1.15- is bonded in a 2-coordinate geometry to two Nb+4.90+ atoms. In the third Se+1.15- site, Se+1.15- is bonded in a 2-coordinate geometry to two Nb+4.90+ and one I1- atom. The Se–I bond length is 3.60 Å. In the fourth Se+1.15- site, Se+1.15- is bonded in a 2-coordinate geometry to two equivalent Nb+4.90+, one Se+1.15-, and two equivalent I1- atoms. The Se–Se bond length is 2.36 Å. Both Se–I bond lengths are 4.09 Å. In the fifth Se+1.15- site, Se+1.15- is bonded in a 2-coordinate geometry to two Nb+4.90+ and one I1- atom. The Se–I bond length is 3.41 Å. In the sixth Se+1.15- site, Se+1.15- is bonded in a 2-coordinate geometry to two equivalent Nb+4.90+ and one Se+1.15- atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to eight Se+1.15- atoms. In the second I1- site, I1- is bonded in a 8-coordinate geometry to eight equivalent Se+1.15- atoms.
DOI: 10.17188/1274903
title: Materials Data on LiMoAsO6 (SG:33) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1274904
title: Materials Data on BeCl2 by Materials Project

description: BeCl2 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.05 Å) Be–Cl bond lengths. In the second Be2+ site, Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.04 Å) Be–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Be2+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms.
DOI: 10.17188/1274905
title: Materials Data on PrAu6 by Materials Project

description: PrAu6 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to sixteen Au+0.50- atoms. There are a spread of Pr–Au bond distances ranging from 3.20–3.88 Å. There are three inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.36 Å. In the second Au+0.50- site, Au+0.50- is bonded in a 3-coordinate geometry to three equivalent Pr3+ and seven Au+0.50- atoms. There are one shorter (2.81 Å) and two longer (3.03 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and eight Au+0.50- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Au–Au bond lengths.
DOI: 10.17188/1274906
title: Materials Data on Y3H2 by Materials Project

description: Y3H2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Y3H2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a trigonal non-coplanar geometry to three equivalent H atoms. All Y–H bond lengths are 2.21 Å. In the second Y site, Y is bonded in a linear geometry to two equivalent H atoms. Both Y–H bond lengths are 2.26 Å. H is bonded to four Y atoms to form corner-sharing HY4 tetrahedra.
DOI: 10.17188/1274907
title: Materials Data on Bi2Te5Pb2 by Materials Project

description: Pb2Bi2Te5 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pb2Bi2Te5 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded to six Te2- atoms to form distorted PbTe6 octahedra that share corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with six equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three shorter (3.06 Å) and three longer (3.66 Å) Pb–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent PbTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent PbTe6 octahedra, and edges with nine equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are three shorter (3.11 Å) and three longer (3.30 Å) Bi–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Pb2+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Pb2+ and three equivalent Bi3+ atoms to form TeBi3Pb3 octahedra that share corners with three equivalent TeBi6 octahedra and edges with nine TeBi3Pb3 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third Te2- site, Te2- is bonded to six equivalent Bi3+ atoms to form a mixture of corner and edge-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 5°.
DOI: 10.17188/1274908
title: Materials Data on SmTlPd by Materials Project

description: SmPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.10 Å) and one longer (3.21 Å) Sm–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.42 Å) Sm–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.96 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Sm and four Pd atoms.
DOI: 10.17188/1274909
title: Materials Data on MgBIr by Materials Project

description: MgIrB crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to six equivalent Ir and four equivalent B atoms. There are four shorter (2.69 Å) and two longer (2.74 Å) Mg–Ir bond lengths. All Mg–B bond lengths are 2.47 Å. In the second Mg site, Mg is bonded to four equivalent Ir and four equivalent B atoms to form a mixture of distorted edge and corner-sharing MgB4Ir4 hexagonal bipyramids. All Mg–Ir bond lengths are 2.89 Å. All Mg–B bond lengths are 2.82 Å. Ir is bonded in a 9-coordinate geometry to five Mg and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to four Mg, four equivalent Ir, and one B atom. The B–B bond length is 1.88 Å.