cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1188097
title: Materials Data on NaErO2 by Materials Project

description: NaErO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent ErO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent ErO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Na–O bond lengths are 2.54 Å. Er3+ is bonded to six equivalent O2- atoms to form ErO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent ErO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Er–O bond lengths are 2.28 Å. O2- is bonded to three equivalent Na1+ and three equivalent Er3+ atoms to form a mixture of edge and corner-sharing ONa3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.5281/zenodo.3755694
title: IODP Expedition 362 Bathymetry

description: Operational bathymetry data were measured using 3.5 kHz and/or 12 kHz echo sounders. Raw data are available in ODEC/CSV and SEGY formats, and depth-corrected bathymetry is presented in SEGY format. Data presented by expedition.
DOI: 10.17188/1188098
title: Materials Data on KY2CuS4 by Materials Project

description: KY2CuS4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.12–3.74 Å. Y3+ is bonded to six S2- atoms to form YS6 octahedra that share corners with three equivalent YS6 octahedra, a cornercorner with one CuS4 tetrahedra, edges with five equivalent YS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are a spread of Y–S bond distances ranging from 2.72–2.83 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent YS6 octahedra, corners with two equivalent CuS4 tetrahedra, and edges with four equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.34 Å) and two longer (2.35 Å) Cu–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+ and four equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing SK2Y4 octahedra. The corner-sharing octahedra tilt angles range from 4–47°. In the second S2- site, S2- is bonded to two equivalent K1+, three equivalent Y3+, and one Cu1+ atom to form distorted SK2Y3Cu octahedra that share corners with six SK2Y4 octahedra, edges with seven SK2Y4 octahedra, and a faceface with one SK2Y3Cu octahedra. The corner-sharing octahedra tilt angles range from 4–64°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Y3+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1188099
title: Materials Data on KNd2CuS4 by Materials Project

description: KNd2CuS4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.82 Å. Nd3+ is bonded to six S2- atoms to form NdS6 octahedra that share corners with three equivalent NdS6 octahedra, a cornercorner with one CuS4 tetrahedra, edges with five equivalent NdS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are a spread of Nd–S bond distances ranging from 2.78–2.90 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent NdS6 octahedra, corners with two equivalent CuS4 tetrahedra, and edges with four equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two shorter (2.35 Å) and two longer (2.41 Å) Cu–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to two equivalent K1+ and four equivalent Nd3+ atoms. In the second S2- site, S2- is bonded to two equivalent K1+, three equivalent Nd3+, and one Cu1+ atom to form a mixture of distorted edge, corner, and face-sharing SK2Nd3Cu octahedra. The corner-sharing octahedral tilt angles are 66°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Nd3+, and two equivalent Cu1+ atoms.
DOI: 10.21957/945j-a645
title: Deterministic ECMWF experiemnt analysis for the winter period
DOI: 10.17188/1188100
title: Materials Data on KSm2CuS4 by Materials Project

description: KSm2CuS4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.79 Å. Sm3+ is bonded to six S2- atoms to form SmS6 octahedra that share corners with three equivalent SmS6 octahedra, a cornercorner with one CuS4 tetrahedra, edges with five equivalent SmS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are a spread of Sm–S bond distances ranging from 2.76–2.87 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent SmS6 octahedra, corners with two equivalent CuS4 tetrahedra, and edges with four equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two shorter (2.35 Å) and two longer (2.39 Å) Cu–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to two equivalent K1+ and four equivalent Sm3+ atoms. In the second S2- site, S2- is bonded to two equivalent K1+, three equivalent Sm3+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing SK2Sm3Cu octahedra. The corner-sharing octahedral tilt angles are 65°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Sm3+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1188101
title: Materials Data on KTb2CuS4 by Materials Project

description: KTb2CuS4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.13–3.75 Å. Tb3+ is bonded to six S2- atoms to form TbS6 octahedra that share corners with three equivalent TbS6 octahedra, a cornercorner with one CuS4 tetrahedra, edges with five equivalent TbS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are a spread of Tb–S bond distances ranging from 2.72–2.83 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent TbS6 octahedra, corners with two equivalent CuS4 tetrahedra, and edges with four equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.34 Å) and two longer (2.36 Å) Cu–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to two equivalent K1+ and four equivalent Tb3+ atoms. In the second S2- site, S2- is bonded to two equivalent K1+, three equivalent Tb3+, and one Cu1+ atom to form a mixture of distorted face, edge, and corner-sharing SK2Tb3Cu octahedra. The corner-sharing octahedral tilt angles are 65°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Tb3+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1188102
title: Materials Data on KHo2CuS4 by Materials Project

description: KHo2CuS4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.11–3.73 Å. Ho3+ is bonded to six S2- atoms to form HoS6 octahedra that share corners with three equivalent HoS6 octahedra, a cornercorner with one CuS4 tetrahedra, edges with five equivalent HoS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are a spread of Ho–S bond distances ranging from 2.70–2.81 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent HoS6 octahedra, corners with two equivalent CuS4 tetrahedra, and edges with four equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Cu–S bond lengths are 2.34 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+ and four equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing SK2Ho4 octahedra. The corner-sharing octahedra tilt angles range from 4–47°. In the second S2- site, S2- is bonded to two equivalent K1+, three equivalent Ho3+, and one Cu1+ atom to form distorted SK2Ho3Cu octahedra that share corners with six SK2Ho4 octahedra, edges with seven SK2Ho4 octahedra, and a faceface with one SK2Ho3Cu octahedra. The corner-sharing octahedra tilt angles range from 4–64°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Ho3+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1188103
title: Materials Data on Si3N4 by Materials Project

description: Si3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Si4+ is bonded to four equivalent N3- atoms to form corner-sharing SiN4 tetrahedra. All Si–N bond lengths are 1.76 Å. N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms.
DOI: 10.17188/1188104
title: Materials Data on Sb(MoS)2 by Materials Project

description: Sb(MoS)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mo+3.50+ sites. In the first Mo+3.50+ site, Mo+3.50+ is bonded in a 6-coordinate geometry to two equivalent Sb3- and four S2- atoms. Both Mo–Sb bond lengths are 2.91 Å. There are a spread of Mo–S bond distances ranging from 2.37–2.61 Å. In the second Mo+3.50+ site, Mo+3.50+ is bonded in a 3-coordinate geometry to three equivalent Sb3- and three equivalent S2- atoms. There are one shorter (2.88 Å) and two longer (2.92 Å) Mo–Sb bond lengths. There are two shorter (2.37 Å) and one longer (2.39 Å) Mo–S bond lengths. Sb3- is bonded in a 5-coordinate geometry to five Mo+3.50+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+3.50+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Mo+3.50+ atoms.
DOI: 10.17188/1188105
title: Materials Data on LaSe by Materials Project

description: LaSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La2+ is bonded to six equivalent Se2- atoms to form a mixture of edge and corner-sharing LaSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–Se bond lengths are 3.05 Å. Se2- is bonded to six equivalent La2+ atoms to form a mixture of edge and corner-sharing SeLa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1188106
title: Materials Data on PrCo4B by Materials Project

description: PrCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Pr–Co bond lengths are 2.94 Å. All Pr–B bond lengths are 2.96 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.96 Å) and twelve longer (3.24 Å) Pr–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to four Pr, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Co atoms.
DOI: 10.17188/1188107
title: Materials Data on Ba2CuSi2O7 by Materials Project

description: Ba2CuSi2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–3.03 Å. Cu2+ is bonded to four equivalent O2- atoms to form distorted CuO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Cu–O bond lengths are 1.98 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent CuO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Cu2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1188108
title: Materials Data on TmMnGe by Materials Project

description: TmMnGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (2.84 Å) and four longer (2.89 Å) Tm–Ge bond lengths. Mn is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing MnGe4 tetrahedra. There are two shorter (2.55 Å) and two longer (2.72 Å) Mn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Tm and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Mn atoms.
DOI: 10.5281/zenodo.3755680
title: IODP Expedition 362 Salinity

description: Salinity was measured on interstitial water (IW) samples using an optical refractometer.
DOI: 10.5281/zenodo.3755679
title: IODP Expedition 362 Salinity

description: Salinity was measured on interstitial water (IW) samples using an optical refractometer.
DOI: 10.17188/1188109
title: Materials Data on ZnNi3Sb2 by Materials Project

description: Ni3ZnSb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional and consists of one Ni3Sb2 framework and one zinc molecule. In the Ni3Sb2 framework, there are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded to six equivalent Sb3- atoms to form NiSb6 octahedra that share corners with twelve equivalent NiSb4 tetrahedra, edges with six equivalent NiSb6 octahedra, and edges with six equivalent NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.71 Å. In the second Ni+1.33+ site, Ni+1.33+ is bonded to four equivalent Sb3- atoms to form distorted NiSb4 tetrahedra that share corners with six equivalent NiSb6 octahedra, corners with six equivalent NiSb4 tetrahedra, edges with three equivalent NiSb6 octahedra, and edges with three equivalent NiSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are one shorter (2.61 Å) and three longer (2.69 Å) Ni–Sb bond lengths. Sb3- is bonded in a 7-coordinate geometry to seven Ni+1.33+ atoms.
DOI: 10.17188/1188110
title: Materials Data on ZnNiSb by Materials Project

description: NiZnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent ZnSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.57 Å. Zn2+ is bonded to six equivalent Sb3- atoms to form ZnSb6 octahedra that share corners with six equivalent ZnSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent ZnSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–Sb bond lengths are 2.97 Å. Sb3- is bonded in a 10-coordinate geometry to four equivalent Ni1+ and six equivalent Zn2+ atoms.
DOI: 10.17188/1188111
title: Materials Data on LaInO3 by Materials Project

description: LaInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–3.01 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of In–O bond distances ranging from 2.19–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent In3+ atoms to form distorted corner-sharing OLa2In2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent In3+ atoms.
DOI: 10.17188/1188112
title: Materials Data on KCa(PO3)3 by Materials Project

description: KCa(PO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with three equivalent CaO6 octahedra. All K–O bond lengths are 2.85 Å. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with three equivalent KO6 octahedra. All Ca–O bond lengths are 2.36 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent KO6 octahedra, corners with two equivalent CaO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–58°. There is two shorter (1.50 Å) and two longer (1.62 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ca2+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.
DOI: 10.17188/1188113
title: Materials Data on Tb2Al6Si4Pt by Materials Project

description: Tb2PtAl6Si4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded to six Si atoms to form TbSi6 octahedra that share corners with twelve AlSi4 tetrahedra, edges with six equivalent TbSi6 octahedra, and edges with six AlSi4 tetrahedra. There are three shorter (2.95 Å) and three longer (2.98 Å) Tb–Si bond lengths. Pt is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.54 Å) and two longer (2.55 Å) Pt–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to one Pt and three equivalent Si atoms to form AlSi3Pt tetrahedra that share corners with three equivalent TbSi6 octahedra, corners with ten AlSiPt3 tetrahedra, edges with three equivalent TbSi6 octahedra, and edges with three equivalent AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 15°. All Al–Si bond lengths are 2.56 Å. In the second Al site, Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent TbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent TbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are three shorter (2.50 Å) and one longer (2.54 Å) Al–Si bond lengths. In the third Al site, Al is bonded to three equivalent Pt and one Si atom to form distorted AlSiPt3 tetrahedra that share corners with three equivalent TbSi6 octahedra, corners with twelve AlSiPt3 tetrahedra, and edges with six AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Al–Si bond length is 2.62 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to three equivalent Tb and four Al atoms to form a mixture of distorted edge and corner-sharing SiTb3Al4 pentagonal bipyramids. In the second Si site, Si is bonded to three equivalent Tb and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiTb3Al4 pentagonal bipyramids.
DOI: 10.17188/1188114
title: Materials Data on Tb2Al6Si4Au by Materials Project

description: Tb2AuAl6Si4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded to six Si atoms to form distorted TbSi6 octahedra that share corners with twelve AlSi4 tetrahedra, edges with six equivalent TbSi6 octahedra, and edges with six AlSi4 tetrahedra. There are three shorter (2.97 Å) and three longer (2.98 Å) Tb–Si bond lengths. Au is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.57 Å) and two longer (2.63 Å) Au–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to one Au and three equivalent Si atoms to form AlSi3Au tetrahedra that share corners with three equivalent TbSi6 octahedra, corners with ten AlSiAu3 tetrahedra, edges with three equivalent TbSi6 octahedra, and edges with three equivalent AlSiAu3 tetrahedra. The corner-sharing octahedral tilt angles are 17°. All Al–Si bond lengths are 2.55 Å. In the second Al site, Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent TbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent TbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.51 Å) and one longer (2.54 Å) Al–Si bond lengths. In the third Al site, Al is bonded to three equivalent Au and one Si atom to form distorted AlSiAu3 tetrahedra that share corners with three equivalent TbSi6 octahedra, corners with twelve AlSiAu3 tetrahedra, and edges with six AlSiAu3 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Al–Si bond length is 2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to three equivalent Tb and four Al atoms to form a mixture of distorted corner and edge-sharing SiTb3Al4 pentagonal bipyramids. In the second Si site, Si is bonded to three equivalent Tb and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiTb3Al4 pentagonal bipyramids.
DOI: 10.17188/1188115
title: Materials Data on UBe13 by Materials Project

description: UBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent U atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.36 Å. Both Be–U bond lengths are 2.97 Å. In the second Be site, Be is bonded in a cuboctahedral geometry to twelve equivalent Be atoms. U is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.