cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1758763
title: Materials Data on Ba3YIr2O9 by Materials Project

description: Ba3YIr2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent YO6 octahedra, and faces with six equivalent IrO6 octahedra. There are six shorter (2.98 Å) and six longer (3.01 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent YO6 octahedra, and faces with four equivalent IrO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Ba–O bond distances ranging from 2.94–3.11 Å. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–O bond lengths are 2.22 Å. Ir+4.50+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent YO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (1.98 Å) and three longer (2.06 Å) Ir–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two equivalent Ir+4.50+ atoms to form a mixture of distorted face and corner-sharing OBa4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 4–60°. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Y3+, and one Ir+4.50+ atom.
DOI: 10.17188/1758764
title: Materials Data on SrV4(AgO6)2 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: 10.17188/1758768
title: Materials Data on NiH2(ClO2)2 by Materials Project

description: NiH2(O2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NiH2(O2Cl)2 clusters. Ni is bonded in a 5-coordinate geometry to four O and one Cl atom. There are a spread of Ni–O bond distances ranging from 1.75–2.05 Å. The Ni–Cl bond length is 2.48 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ni and two H atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one Ni and one Cl atom. The O–Cl bond length is 1.59 Å. In the third O site, O is bonded in a single-bond geometry to one Ni atom. In the fourth O site, O is bonded in a single-bond geometry to one Ni atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to one Ni atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1758769
title: Materials Data on DyHo3 by Materials Project

description: Ho3Dy is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Dy atoms to form HoDy4Ho8 cuboctahedra that share corners with four equivalent DyHo12 cuboctahedra, corners with fourteen equivalent HoDy4Ho8 cuboctahedra, edges with six equivalent DyHo12 cuboctahedra, edges with twelve equivalent HoDy4Ho8 cuboctahedra, faces with four equivalent DyHo12 cuboctahedra, and faces with sixteen equivalent HoDy4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.50–3.60 Å. There are two shorter (3.51 Å) and two longer (3.60 Å) Ho–Dy bond lengths. Dy is bonded to twelve equivalent Ho atoms to form DyHo12 cuboctahedra that share corners with six equivalent DyHo12 cuboctahedra, corners with twelve equivalent HoDy4Ho8 cuboctahedra, edges with eighteen equivalent HoDy4Ho8 cuboctahedra, faces with eight equivalent DyHo12 cuboctahedra, and faces with twelve equivalent HoDy4Ho8 cuboctahedra.
DOI: 10.17188/1758770
title: Materials Data on Al3Cr3(SbO8)2 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: 10.17188/1758771
title: Materials Data on TmCdNi4 by Materials Project

description: TmNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Tm–Ni bond lengths are 2.90 Å. All Tm–Cd bond lengths are 3.02 Å. Ni is bonded to three equivalent Tm, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiTm3Cd3Ni6 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.48 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.89 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Tm and twelve equivalent Ni atoms.
DOI: 10.17188/1758772
title: Materials Data on Mg4Si3 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: 10.17188/1758773
title: Materials Data on Pr(AlFe)6 by Materials Project

description: Pr(FeAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are four shorter (3.26 Å) and eight longer (3.32 Å) Pr–Fe bond lengths. There are a spread of Pr–Al bond distances ranging from 2.93–3.07 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Pr, four Fe, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing FePr2Al6Fe4 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.52 Å) Fe–Fe bond lengths. There are a spread of Fe–Al bond distances ranging from 2.53–2.64 Å. In the second Fe site, Fe is bonded to two equivalent Pr, four equivalent Fe, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing FePr2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.60–2.73 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Pr, six Fe, and three Al atoms. There are one shorter (2.65 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 7-coordinate geometry to one Pr, six Fe, and two equivalent Al atoms. Both Al–Al bond lengths are 2.96 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Pr, six Fe, and four Al atoms.
DOI: 10.17188/1758775
title: Materials Data on CaLaNbCoO6 by Materials Project

description: CaLaNbCoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.79 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.82 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 29–32°. There are a spread of Nb–O bond distances ranging from 2.00–2.03 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–32°. There are a spread of Co–O bond distances ranging from 2.07–2.17 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent La3+, one Nb5+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one La3+, one Nb5+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one La3+, one Nb5+, and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent La3+, one Nb5+, and one Co2+ atom. In the fifth O2- site, O2- is bonded to one Ca2+, one La3+, one Nb5+, and one Co2+ atom to form distorted corner-sharing OCaLaNbCo tetrahedra. In the sixth O2- site, O2- is bonded to one Ca2+, one La3+, one Nb5+, and one Co2+ atom to form distorted corner-sharing OCaLaNbCo tetrahedra.
DOI: 10.17188/1758776
title: Materials Data on Cu3OF5 by Materials Project

description: Cu3OF5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded to one O2- and five F1- atoms to form CuOF5 octahedra that share corners with eight CuO2F4 octahedra and edges with two CuOF5 octahedra. The corner-sharing octahedra tilt angles range from 43–67°. The Cu–O bond length is 1.86 Å. There are a spread of Cu–F bond distances ranging from 1.98–2.27 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded to two equivalent O2- and four F1- atoms to form CuO2F4 octahedra that share corners with eight CuOF5 octahedra and edges with two equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. Both Cu–O bond lengths are 1.88 Å. There are two shorter (1.95 Å) and two longer (2.40 Å) Cu–F bond lengths. In the third Cu+2.33+ site, Cu+2.33+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with eight CuOF5 octahedra and edges with two CuO2F4 octahedra. The corner-sharing octahedra tilt angles range from 43–67°. There are a spread of Cu–F bond distances ranging from 1.89–2.35 Å. In the fourth Cu+2.33+ site, Cu+2.33+ is bonded to two equivalent O2- and four F1- atoms to form CuO2F4 octahedra that share corners with eight CuO2F4 octahedra and edges with two equivalent CuOF5 octahedra. The corner-sharing octahedra tilt angles range from 44–52°. Both Cu–O bond lengths are 2.06 Å. There is two shorter (1.97 Å) and two longer (1.99 Å) Cu–F bond length. O2- is bonded in a distorted trigonal planar geometry to three Cu+2.33+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Cu+2.33+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Cu+2.33+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Cu+2.33+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three Cu+2.33+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three Cu+2.33+ atoms.
DOI: 10.17188/1758777
title: Materials Data on PrNb4O12 by Materials Project

description: PrNb4O12 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pr4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.51–2.84 Å. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–28°. There are a spread of Nb–O bond distances ranging from 1.94–2.09 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Pr4+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one Pr4+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr4+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr4+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1758778
title: Materials Data on KEu3 by Materials Project

description: KEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded to twelve Eu atoms to form KEu12 cuboctahedra that share corners with four equivalent KEu12 cuboctahedra, corners with eight equivalent EuK4Eu8 cuboctahedra, edges with eight equivalent KEu12 cuboctahedra, edges with sixteen equivalent EuK4Eu8 cuboctahedra, faces with four equivalent KEu12 cuboctahedra, and faces with fourteen EuK4Eu8 cuboctahedra. There are four shorter (4.13 Å) and eight longer (4.20 Å) K–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent K and eight Eu atoms to form EuK4Eu8 cuboctahedra that share corners with twelve equivalent EuK4Eu8 cuboctahedra, edges with eight equivalent KEu12 cuboctahedra, edges with sixteen EuK4Eu8 cuboctahedra, faces with four equivalent KEu12 cuboctahedra, and faces with fourteen EuK4Eu8 cuboctahedra. There are four shorter (4.13 Å) and four longer (4.20 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent K and eight equivalent Eu atoms to form distorted EuK4Eu8 cuboctahedra that share corners with four equivalent EuK4Eu8 cuboctahedra, corners with eight equivalent KEu12 cuboctahedra, edges with twenty-four EuK4Eu8 cuboctahedra, faces with six equivalent KEu12 cuboctahedra, and faces with twelve EuK4Eu8 cuboctahedra.
DOI: 10.17188/1758779
title: Materials Data on Rb2Mo(O2F)2 by Materials Project

description: Rb2Mo(O2F)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 11-coordinate geometry to eight equivalent O and three F atoms. There are four shorter (3.03 Å) and four longer (3.23 Å) Rb–O bond lengths. There are one shorter (2.88 Å) and two longer (3.17 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded in a 11-coordinate geometry to eight equivalent O and three F atoms. There are four shorter (3.07 Å) and four longer (3.25 Å) Rb–O bond lengths. There are one shorter (3.01 Å) and two longer (3.16 Å) Rb–F bond lengths. Mo is bonded in an octahedral geometry to four equivalent O and two F atoms. All Mo–O bond lengths are 1.89 Å. There are one shorter (1.97 Å) and one longer (2.03 Å) Mo–F bond lengths. O is bonded in a distorted single-bond geometry to four Rb and one Mo atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the second F site, F is bonded in a 4-coordinate geometry to three Rb and one Mo atom.
DOI: 10.17188/1758780
title: Materials Data on Rb2Nb2Si2O11 by Materials Project

description: Rb2Nb2Si2O11 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.13 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.32 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.56 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with four NbO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Nb–O bond distances ranging from 1.89–2.09 Å. In the second Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with four NbO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Nb–O bond distances ranging from 1.88–2.10 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two NbO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two NbO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Rb and two Si atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two Nb atoms. In the third O site, O is bonded in a 4-coordinate geometry to three Rb and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two Si atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to one Rb and two Nb atoms. In the sixth O site, O is bonded in a 2-coordinate geometry to one Rb, one Nb, and one Si atom. In the seventh O site, O is bonded in a 2-coordinate geometry to two Rb, one Nb, and one Si atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two equivalent Nb atoms. In the ninth O site, O is bonded in a 2-coordinate geometry to one Rb and two Nb atoms. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Nb and one Si atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Nb and one Si atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two equivalent Nb atoms.
DOI: 10.17188/1758781
title: Materials Data on TaRe2Mo by Materials Project

description: TaMoRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaMoRe2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Re atoms. Both Ta–Re bond lengths are 2.39 Å. Mo is bonded in a linear geometry to two equivalent Re atoms. Both Mo–Re bond lengths are 2.33 Å. Re is bonded in a linear geometry to one Ta and one Mo atom.
DOI: 10.6073/pasta/23470b3584801598547203c163bb8e80
title: SBC LTER: Reef: Kelp Forest Community Dynamics: Abundance and size of Giant Kelp (Macrocystis Pyrifera), ongoing since 2000

description: These data describe the abundance of giant kelp, Macrocystis pyrifera, and are part of the SBCLTER kelp forest monitoring program. The study was initiated in 2000, in the Santa Barbara Channel, California, USA, and this dataset is updated once per year. The number and size (number of fronds and diameter of holdfasts) of plants were recorded along permanent transects at nine reef sites located along the mainland coast of the Santa Barbara Channel and at two sites on the north side Santa Cruz Island. These sites reflect several oceanographic regimes in the channel and vary in distance from sources of terrestrial runoff. The time period of data collection varied among the 11 kelp forest sites. Sampling at BULL, CARP, and NAPL began in 2000, sampling at the other 6 mainland sites (AHND, AQUE, IVEE, GOLB, ABUR, MOHK) began in 2001 (transects 3, 5, 6, 7, 8 at IVEE were added in 2011). Data collection at the two Santa Cruz Island sites (SCTW and SCDI) began in 2004. See Methods for more information.
DOI: 10.17188/1758783
title: Materials Data on RbIn(PO4)2 by Materials Project

description: RbIn(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.27 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.16–2.22 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 39–49°. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Rb, one In, and one P atom. In the second O site, O is bonded in a 1-coordinate geometry to one Rb, one In, and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one In, and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Rb, one In, and one P atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Rb, one In, and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one Rb and one P atom.
DOI: 10.17188/1758784
title: Materials Data on CaYb3 by Materials Project

description: CaYb3 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. Ca is bonded to two equivalent Ca and ten Yb atoms to form CaCa2Yb10 cuboctahedra that share corners with twelve equivalent CaCa2Yb10 cuboctahedra, edges with four equivalent CaCa2Yb10 cuboctahedra, edges with twenty YbCa4Yb8 cuboctahedra, faces with two equivalent CaCa2Yb10 cuboctahedra, and faces with sixteen YbCa4Yb8 cuboctahedra. Both Ca–Ca bond lengths are 3.79 Å. There are a spread of Ca–Yb bond distances ranging from 3.80–3.96 Å. There are three inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Ca and eight Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with twelve equivalent YbCa4Yb8 cuboctahedra, edges with eight equivalent CaCa2Yb10 cuboctahedra, edges with sixteen YbCa4Yb8 cuboctahedra, faces with four equivalent CaCa2Yb10 cuboctahedra, and faces with fourteen YbCa4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.79–3.96 Å. In the second Yb site, Yb is bonded to four equivalent Ca and eight Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with twelve equivalent YbCa4Yb8 cuboctahedra, edges with eight equivalent CaCa2Yb10 cuboctahedra, edges with sixteen YbCa4Yb8 cuboctahedra, faces with four equivalent CaCa2Yb10 cuboctahedra, and faces with fourteen YbCa4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.79–3.91 Å. In the third Yb site, Yb is bonded to two equivalent Ca and ten Yb atoms to form YbCa2Yb10 cuboctahedra that share corners with twelve equivalent YbCa2Yb10 cuboctahedra, edges with four equivalent CaCa2Yb10 cuboctahedra, edges with twenty YbCa4Yb8 cuboctahedra, faces with eight equivalent CaCa2Yb10 cuboctahedra, and faces with ten YbCa4Yb8 cuboctahedra. Both Yb–Yb bond lengths are 3.79 Å.