cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1679569
title: Materials Data on KVH6SeO9 by Materials Project

description: KVH6SeO9 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.21 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.27 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.65–1.70 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one K1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one V5+, and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one V5+, and two H1+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+, one V5+, and one Se6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one V5+, and one Se6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Se6+ atom.
DOI: 10.17188/1679570
title: Materials Data on MnGa2Ni by Materials Project

description: MnNiGa2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to six equivalent Ni and eight equivalent Ga atoms. All Mn–Ni bond lengths are 2.99 Å. All Mn–Ga bond lengths are 2.59 Å. Ni is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.59 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ni atoms.
DOI: 10.17188/1679571
title: Materials Data on Mg6SiGe2 by Materials Project

description: Mg6Ge2Si crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Ge and two equivalent Si atoms to form a mixture of edge and corner-sharing MgSi2Ge2 tetrahedra. Both Mg–Ge bond lengths are 2.77 Å. Both Mg–Si bond lengths are 2.77 Å. In the second Mg site, Mg is bonded to three equivalent Ge and one Si atom to form a mixture of edge and corner-sharing MgSiGe3 tetrahedra. There are one shorter (2.77 Å) and two longer (2.78 Å) Mg–Ge bond lengths. The Mg–Si bond length is 2.77 Å. Ge is bonded in a body-centered cubic geometry to eight Mg atoms. Si is bonded in a body-centered cubic geometry to eight Mg atoms.
DOI: 10.17188/1679572
title: Materials Data on Fe2CoO4 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: 10.17188/1679573
title: Materials Data on ZrScRh2 by Materials Project

description: ScZrRh2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScZrRh2 ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.41 Å. Zr is bonded in a linear geometry to two equivalent Rh atoms. Both Zr–Rh bond lengths are 2.29 Å. Rh is bonded in a linear geometry to one Sc and one Zr atom.
DOI: 10.17188/1679574
title: Materials Data on LaNO6 by Materials Project

description: LaNO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one LaNO6 sheet oriented in the (0, 0, 1) direction. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.45–2.84 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one La atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent La and one N atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom.
DOI: 10.17188/1679575
title: Materials Data on DySbO3 by Materials Project

description: DySbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy3+ is bonded to twelve equivalent O2- atoms to form DyO12 cuboctahedra that share corners with twelve equivalent DyO12 cuboctahedra, faces with six equivalent DyO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Dy–O bond lengths are 3.00 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent DyO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.12 Å. O2- is bonded in a linear geometry to four equivalent Dy3+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1679576
title: Materials Data on ReMo2C by Materials Project

description: Mo2ReC is H-Phase-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to nine Mo and three equivalent Re atoms to form distorted MoRe3Mo9 cuboctahedra that share corners with six equivalent MoRe3Mo9 cuboctahedra, corners with six equivalent CRe3Mo3 octahedra, edges with six equivalent MoRe3Mo9 cuboctahedra, edges with six equivalent CRe3Mo3 octahedra, and faces with six equivalent MoRe3Mo9 cuboctahedra. The corner-sharing octahedra tilt angles range from 17–18°. There are three shorter (2.88 Å) and six longer (2.98 Å) Mo–Mo bond lengths. All Mo–Re bond lengths are 2.82 Å. In the second Mo site, Mo is bonded in a 3-coordinate geometry to three equivalent Mo and three equivalent C atoms. All Mo–C bond lengths are 2.11 Å. Re is bonded in a 3-coordinate geometry to three equivalent Mo and three equivalent C atoms. All Re–C bond lengths are 2.10 Å. C is bonded to three equivalent Mo and three equivalent Re atoms to form CRe3Mo3 octahedra that share corners with six equivalent MoRe3Mo9 cuboctahedra, edges with six equivalent MoRe3Mo9 cuboctahedra, and edges with six equivalent CRe3Mo3 octahedra.
DOI: 10.17188/1679577
title: Materials Data on Nb4Fe2N by Materials Project

description: Nb4Fe2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six equivalent Fe atoms. All Nb–Fe bond lengths are 2.52 Å. In the second Nb site, Nb is bonded in a distorted bent 150 degrees geometry to four equivalent Fe and two equivalent N atoms. There are two shorter (2.81 Å) and two longer (3.05 Å) Nb–Fe bond lengths. Both Nb–N bond lengths are 2.19 Å. Fe is bonded in a 12-coordinate geometry to nine Nb and three equivalent Fe atoms. All Fe–Fe bond lengths are 2.68 Å. N is bonded to six equivalent Nb atoms to form corner-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 38°.
DOI: 10.17188/1679578
title: Materials Data on Cr4OF11 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: 10.17188/1679579
title: Materials Data on MgN(ClO2)3 by Materials Project

description: MgN(O2Cl)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two MgN(O2Cl)3 sheets oriented in the (1, 0, 0) direction. Mg is bonded to four O and two equivalent Cl atoms to form corner-sharing MgCl2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.01 Å) and two longer (2.45 Å) Mg–O bond lengths. Both Mg–Cl bond lengths are 2.42 Å. N is bonded in a bent 120 degrees geometry to two equivalent Cl atoms. Both N–Cl bond lengths are 1.68 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.61 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a linear geometry to two equivalent Mg atoms. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to one N and one O atom.
DOI: 10.17188/1679580
title: Materials Data on ReCl6 by Materials Project

description: ReCl6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three hexachlororhenium molecules. Re6+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Re–Cl bond lengths are 2.30 Å. Cl1- is bonded in a single-bond geometry to one Re6+ atom.
DOI: 10.17188/1679581
title: Materials Data on Zr6Ga16Os7 by Materials Project

description: Zr6Os7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Os and eight Ga atoms. All Zr–Os bond lengths are 3.14 Å. There are four shorter (2.84 Å) and four longer (2.93 Å) Zr–Ga bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted face and corner-sharing OsZr4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.71 Å) Os–Ga bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Os atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Zr and four Os atoms.
DOI: 10.17188/1679582
title: Materials Data on NdAgH10C20(N3O4)2 by Materials Project

description: Nd(CO2)4AgH4(CN)6(C)4(CH)6 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of sixteen methane molecules; twenty-four methane molecules; four AgH4(CN)6 clusters; and two Nd(CO2)4 ribbons oriented in the (0, 0, 1) direction. In each AgH4(CN)6 cluster, Ag1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Ag–N bond lengths are 2.11 Å. There are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a trigonal planar geometry to two N3- and one H1+ atom. There is one shorter (1.32 Å) and one longer (1.36 Å) C–N bond length. The C–H bond length is 1.08 Å. In the second C1+ site, C1+ is bonded in a trigonal planar geometry to two N3- and one H1+ atom. There is one shorter (1.31 Å) and one longer (1.37 Å) C–N bond length. The C–H bond length is 1.08 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.43 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three C1+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to one Ag1+, one C1+, and one N3- atom. The N–N bond length is 1.38 Å. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one C1+ and one N3- atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In each Nd(CO2)4 ribbon, Nd3+ is bonded in a distorted hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.57 Å. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.28 Å. In the second C1+ site, C1+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one C1+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Nd3+ and one C1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one C1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one C1+ atom.
DOI: 10.17188/1679583
title: Materials Data on Nd2Fe2Se2O3 by Materials Project

description: Nd2Fe2Se2O3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Nd–Se bond lengths are 3.34 Å. All Nd–O bond lengths are 2.36 Å. Fe2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Fe–Se bond lengths are 2.78 Å. Both Fe–O bond lengths are 2.05 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Nd3+ and four equivalent Fe2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Fe2+ atoms.
DOI: 10.17188/1679584
title: Materials Data on CsB5(H2O3)4 by Materials Project

description: CsB5(H2O3)4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four CsB5(H2O3)4 ribbons oriented in the (0, 0, 1) direction. Cs1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.25 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.49 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.39 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one H1+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+, one B3+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Cs1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+ and two B3+ atoms.
DOI: 10.17188/1679585
title: Materials Data on Ga2O3 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: 10.17188/1679586
title: Materials Data on Lu7(TeRh)2 by Materials Project

description: Lu7(RhTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 5-coordinate geometry to two equivalent Rh and three Te atoms. Both Lu–Rh bond lengths are 2.79 Å. There are one shorter (3.08 Å) and two longer (3.14 Å) Lu–Te bond lengths. In the second Lu site, Lu is bonded in a 2-coordinate geometry to three equivalent Rh and one Te atom. There are two shorter (2.79 Å) and one longer (3.10 Å) Lu–Rh bond lengths. The Lu–Te bond length is 3.13 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Te atoms. Both Lu–Rh bond lengths are 2.82 Å. Both Lu–Te bond lengths are 3.13 Å. In the fourth Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.16 Å) and one longer (3.17 Å) Lu–Te bond lengths. Rh is bonded in a 7-coordinate geometry to seven Lu atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Lu atoms.
DOI: 10.17188/1679587
title: Materials Data on Zn3(PO6)2 by Materials Project

description: Zn3(PO6)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six O atoms to form distorted ZnO6 octahedra that share corners with two equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.12 Å. In the second Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There is two shorter (1.92 Å) and two longer (2.00 Å) Zn–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one ZnO6 octahedra and corners with four equivalent ZnO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Zn and one P atom. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the sixth O site, O is bonded in a single-bond geometry to one Zn atom. In the seventh O site, O is bonded in a single-bond geometry to one Zn atom.
DOI: 10.17188/1679588
title: Materials Data on Na4Ag by Materials Project

description: Na4Ag is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Na4Ag clusters. Na is bonded in a single-bond geometry to one Ag atom. The Na–Ag bond length is 2.84 Å. Ag is bonded in a tetrahedral geometry to four equivalent Na atoms.
DOI: 10.17188/1679589
title: Materials Data on Cs2AgSbCl6 by Materials Project

description: Cs2AgSbCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent AgCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All Cs–Cl bond lengths are 3.84 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.75 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.67 Å. Cl1- is bonded to four equivalent Cs1+, one Ag1+, and one Sb3+ atom to form a mixture of distorted edge, face, and corner-sharing ClCs4AgSb octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1679590
title: Materials Data on Be17Os3 by Materials Project

description: Be17Os3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are six inequivalent Be sites. In the first Be site, Be is bonded in a 2-coordinate geometry to nine Be and two equivalent Os atoms. There are a spread of Be–Be bond distances ranging from 2.20–2.48 Å. Both Be–Os bond lengths are 2.43 Å. In the second Be site, Be is bonded to nine Be and three equivalent Os atoms to form a mixture of edge and face-sharing BeBe9Os3 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.05–2.24 Å. There are one shorter (2.51 Å) and two longer (2.54 Å) Be–Os bond lengths. In the third Be site, Be is bonded to ten Be and two equivalent Os atoms to form distorted BeBe10Os2 cuboctahedra that share corners with four equivalent BeBe10Os2 cuboctahedra, an edgeedge with one BeBe10Os2 cuboctahedra, and faces with six equivalent BeBe9Os3 cuboctahedra. All Be–Be bond lengths are 2.22 Å. Both Be–Os bond lengths are 2.61 Å. In the fourth Be site, Be is bonded in a 9-coordinate geometry to six Be and three equivalent Os atoms. There are three shorter (2.13 Å) and three longer (2.17 Å) Be–Be bond lengths. All Be–Os bond lengths are 2.44 Å. In the fifth Be site, Be is bonded in a 10-coordinate geometry to seven Be and three equivalent Os atoms. There are one shorter (2.16 Å) and two longer (2.21 Å) Be–Be bond lengths. There are a spread of Be–Os bond distances ranging from 2.40–2.47 Å. In the sixth Be site, Be is bonded in a distorted q6 geometry to six Be and three equivalent Os atoms. The Be–Be bond length is 2.11 Å. There are one shorter (2.41 Å) and two longer (2.50 Å) Be–Os bond lengths. Os is bonded in a 4-coordinate geometry to sixteen Be atoms.