cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1730517
title: Materials Data on CuPdO3 by Materials Project

description: PdCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd4+ is bonded to twelve equivalent O2- atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Pd–O bond lengths are 2.68 Å. Cu2+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.90 Å. O2- is bonded in a linear geometry to four equivalent Pd4+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1730518
title: Materials Data on K3RuF6 by Materials Project

description: K3RuF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are four shorter (2.65 Å) and two longer (2.91 Å) K–F bond lengths. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.63–2.79 Å. In the third K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.64–2.82 Å. Ru3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.04 Å) and two longer (2.05 Å) Ru–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Ru3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Ru3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Ru3+ atom.
DOI: 10.6073/pasta/1842bf2dc7ae59a7ff2ede44eea5bf8c
title: Jornada Basin LTER: Wireless meteorological station at NPP T-TAYL site: Daily summary data: 2013 - ongoing

description: Daily summary data at NPP T-TAYL met station. Average/maximum/minimum air temperature; average/maximum relative humidity and wind speed and average wind direction. These are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP T-TAYL site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.
DOI: 10.17188/1730520
title: Materials Data on LiVOF3 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: 10.17188/1730521
title: Materials Data on SrMn3(PO4)3 by Materials Project

description: SrMn3(PO4)3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.69–2.75 Å. There are two inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four PO4 tetrahedra, an edgeedge with one MnO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Mn–O bond distances ranging from 2.16–2.22 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with six PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (1.97 Å) and two longer (2.28 Å) Mn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–59°. There is two shorter (1.54 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four MnO6 octahedra and an edgeedge with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There is two shorter (1.53 Å) and two longer (1.59 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two equivalent Mn+2.33+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Mn+2.33+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Mn+2.33+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Mn+2.33+, and one P5+ atom.
DOI: 10.17188/1730522
title: Materials Data on TiCdPd2 by Materials Project

description: TiPd2Cd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiPd2Cd ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Pd atoms. Both Ti–Pd bond lengths are 2.20 Å. Pd is bonded in a linear geometry to one Ti and one Cd atom. The Pd–Cd bond length is 2.75 Å. Cd is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1730523
title: Materials Data on ErSbO4 by Materials Project

description: ErSbO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.23–2.72 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.18–2.60 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There are a spread of Sb–O bond distances ranging from 1.98–2.04 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Er3+ and two Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Er3+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Er3+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Er3+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Er3+ and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one Sb5+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Er3+ and one Sb5+ atom.
DOI: 10.17188/1730524
title: Materials Data on Ni3Rh by Materials Project

description: RhNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to twelve Ni atoms to form RhNi12 cuboctahedra that share corners with six equivalent RhNi12 cuboctahedra, corners with twelve NiNi8Rh4 cuboctahedra, edges with eighteen NiNi8Rh4 cuboctahedra, faces with eight equivalent RhNi12 cuboctahedra, and faces with twelve NiNi8Rh4 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.57 Å) Rh–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Rh and eight Ni atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent RhNi12 cuboctahedra, corners with fourteen equivalent NiNi8Rh4 cuboctahedra, edges with six equivalent RhNi12 cuboctahedra, edges with twelve NiNi8Rh4 cuboctahedra, faces with four equivalent RhNi12 cuboctahedra, and faces with sixteen NiNi8Rh4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.51–2.62 Å. In the second Ni site, Ni is bonded to four equivalent Rh and eight equivalent Ni atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent RhNi12 cuboctahedra, corners with fourteen NiNi8Rh4 cuboctahedra, edges with six equivalent RhNi12 cuboctahedra, edges with twelve equivalent NiNi8Rh4 cuboctahedra, faces with four equivalent RhNi12 cuboctahedra, and faces with sixteen NiNi8Rh4 cuboctahedra.
DOI: 10.17188/1730525
title: Materials Data on Eu2H6Ir by Materials Project

description: Eu2IrH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded to twelve equivalent H atoms to form EuH12 cuboctahedra that share corners with twelve equivalent EuH12 cuboctahedra, faces with six equivalent EuH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Eu–H bond lengths are 2.68 Å. Ir is bonded to six equivalent H atoms to form IrH6 octahedra that share faces with eight equivalent EuH12 cuboctahedra. All Ir–H bond lengths are 1.72 Å. H is bonded to four equivalent Eu and one Ir atom to form a mixture of face, edge, and corner-sharing HEu4Ir square pyramids.
DOI: 10.17188/1730526
title: Materials Data on YFe(WO4)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: 10.17188/1730527
title: Materials Data on Zr3NiF6 by Materials Project

description: Zr2NiF4ZrF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one 13842-94-9 molecule and one Zr2NiF4 sheet oriented in the (0, 0, 1) direction. In the Zr2NiF4 sheet, there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.02 Å. In the second Zr site, Zr is bonded in a linear geometry to two equivalent F atoms. Both Zr–F bond lengths are 2.02 Å. Ni is bonded in a square co-planar geometry to four F atoms. There are two shorter (2.05 Å) and two longer (2.07 Å) Ni–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a distorted bent 150 degrees geometry to one Zr and one Ni atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Zr and one Ni atom.
DOI: 10.17188/1730528
title: Materials Data on SrV13O18 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: 10.17188/1730529
title: Materials Data on CsMg6Mn by Materials Project

description: CsMg6Mn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs is bonded to ten Mg and two equivalent Mn atoms to form a mixture of corner and face-sharing CsMg10Mn2 cuboctahedra. There are a spread of Cs–Mg bond distances ranging from 3.40–3.57 Å. Both Cs–Mn bond lengths are 3.58 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Cs, one Mg, and one Mn atom. The Mg–Mg bond length is 3.39 Å. The Mg–Mn bond length is 2.87 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent Mn atoms. There are two shorter (3.35 Å) and four longer (3.37 Å) Mg–Mg bond lengths. Both Mg–Mn bond lengths are 3.45 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Cs, two equivalent Mg, and two equivalent Mn atoms. Both Mg–Mn bond lengths are 3.14 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Cs and two equivalent Mg atoms. Mn is bonded in a 10-coordinate geometry to two equivalent Cs and eight Mg atoms.
DOI: 10.17188/1730530
title: Materials Data on Ca2GaAg by Materials Project

description: Ca2AgGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2AgGa ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Ag and one Ga atom. The Ca–Ag bond length is 3.00 Å. The Ca–Ga bond length is 2.95 Å. Ag is bonded in a linear geometry to two equivalent Ca atoms. Ga is bonded in a linear geometry to two equivalent Ca atoms.
DOI: 10.17188/1730531
title: Materials Data on LiMnF4 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: 10.17188/1730532
title: Materials Data on Li24Mn7Cr5O36 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: 10.17188/1730533
title: Materials Data on Li3FeBPO7 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: 10.17188/1730534
title: Materials Data on Nb6CuSe8 by Materials Project

description: Nb6CuSe8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb+2.50+ is bonded to six Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NbSe6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Nb–Se bond distances ranging from 2.60–2.80 Å. Cu1+ is bonded in a distorted hexagonal planar geometry to six equivalent Se2- atoms. All Cu–Se bond lengths are 3.23 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing SeNb6 pentagonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nb+2.50+ and one Cu1+ atom.
DOI: 10.17188/1730536
title: Materials Data on PrErFe14B by Materials Project

description: ErPrFe14B crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to one Er, two equivalent Pr, sixteen Fe, and one B atom. The Er–Er bond length is 3.60 Å. Both Er–Pr bond lengths are 3.75 Å. There are a spread of Er–Fe bond distances ranging from 3.02–3.36 Å. The Er–B bond length is 2.87 Å. Pr is bonded in a 6-coordinate geometry to two equivalent Er, sixteen Fe, and two equivalent B atoms. There are a spread of Pr–Fe bond distances ranging from 3.04–3.22 Å. Both Pr–B bond lengths are 3.28 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted single-bond geometry to one Er, one Pr, seven Fe, and one B atom. There are a spread of Fe–Fe bond distances ranging from 2.44–2.75 Å. The Fe–B bond length is 2.09 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to one Er, one Pr, and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.62–2.80 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Er, one Pr, and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.51 Å. In the fourth Fe site, Fe is bonded in a distorted q6 geometry to one Er, one Pr, and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.54 Å. In the fifth Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Pr, four Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.08 Å. In the sixth Fe site, Fe is bonded to two equivalent Er, two equivalent Pr, and eight Fe atoms to form corner-sharing FePr2Er2Fe8 cuboctahedra. B is bonded in a 6-coordinate geometry to one Er, two equivalent Pr, and six Fe atoms.
DOI: 10.17188/1730537
title: Materials Data on CsCoPO4 by Materials Project

description: CsCoPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.11–3.76 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.95–1.98 Å. In the second Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four PO4 tetrahedra. There is two shorter (1.96 Å) and two longer (1.97 Å) Co–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four CoO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four CoO4 tetrahedra. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Co2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Co2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Co2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Co2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Co2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Cs1+, one Co2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cs1+, one Co2+, and one P5+ atom.
DOI: 10.17188/1730538
title: Materials Data on Rb2LiSbCl6 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: 10.17188/1730539
title: Materials Data on Fe2CuRh3S8 by Materials Project

description: Fe2Rh3CuS8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six S2- atoms to form FeS6 octahedra that share corners with three equivalent FeS4 tetrahedra, corners with three equivalent CuS4 tetrahedra, and edges with six equivalent RhS6 octahedra. There are three shorter (2.27 Å) and three longer (2.33 Å) Fe–S bond lengths. In the second Fe3+ site, Fe3+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with three equivalent FeS6 octahedra and corners with nine equivalent RhS6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are one shorter (2.09 Å) and three longer (2.11 Å) Fe–S bond lengths. Rh3+ is bonded to six S2- atoms to form RhS6 octahedra that share corners with three equivalent FeS4 tetrahedra, corners with three equivalent CuS4 tetrahedra, edges with two equivalent FeS6 octahedra, and edges with four equivalent RhS6 octahedra. There are a spread of Rh–S bond distances ranging from 2.36–2.41 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with three equivalent FeS6 octahedra and corners with nine equivalent RhS6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are one shorter (2.23 Å) and three longer (2.27 Å) Cu–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Rh3+ and one Cu1+ atom. In the second S2- site, S2- is bonded to one Fe3+, two equivalent Rh3+, and one Cu1+ atom to form a mixture of distorted corner and edge-sharing SFeCuRh2 tetrahedra. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Fe3+ and three equivalent Rh3+ atoms. In the fourth S2- site, S2- is bonded in a rectangular see-saw-like geometry to two Fe3+ and two equivalent Rh3+ atoms.
DOI: 10.17188/1730540
title: Materials Data on HfBeIr2 by Materials Project

description: BeHfIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeHfIr2 ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Ir atoms. Both Be–Ir bond lengths are 2.21 Å. Hf is bonded in a linear geometry to two equivalent Ir atoms. Both Hf–Ir bond lengths are 2.28 Å. Ir is bonded in a linear geometry to one Be and one Hf atom.
DOI: 10.17188/1730541
title: Materials Data on Mn3OF5 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: 10.17188/1730542
title: Materials Data on YAl3Ag by Materials Project

description: YAgAl3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Al atoms. There are two shorter (3.52 Å) and two longer (3.53 Å) Y–Ag bond lengths. There are a spread of Y–Al bond distances ranging from 3.22–3.53 Å. Ag is bonded in a 12-coordinate geometry to four equivalent Y and eight Al atoms. There are four shorter (2.63 Å) and four longer (2.97 Å) Ag–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Y, four equivalent Ag, and four Al atoms to form a mixture of distorted face and corner-sharing AlY4Al4Ag4 cuboctahedra. All Al–Al bond lengths are 2.63 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ag, and three Al atoms. The Al–Al bond length is 2.49 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ag, and three Al atoms.