cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1687852
title: Materials Data on Zn2InCuSe4 by Materials Project

description: CuZn2InSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent InSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All In–Se bond lengths are 2.63 Å. Se2- is bonded to one Cu1+, two equivalent Zn2+, and one In3+ atom to form corner-sharing SeZn2InCu tetrahedra.
DOI: 10.17188/1687853
title: Materials Data on Yb6Mn25(Cl3O10)4 by Materials Project

description: Yb6Mn25(O10Cl3)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Yb–O bond lengths are 2.43 Å. In the second Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Yb–O bond lengths are 2.42 Å. In the third Yb site, Yb is bonded in an octahedral geometry to six O atoms. There are one shorter (2.22 Å) and five longer (2.23 Å) Yb–O bond lengths. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted rectangular see-saw-like geometry to four O and two equivalent Cl atoms. There is two shorter (1.89 Å) and two longer (2.00 Å) Mn–O bond length. Both Mn–Cl bond lengths are 2.81 Å. In the second Mn site, Mn is bonded in a distorted rectangular see-saw-like geometry to four O and two equivalent Cl atoms. There is two shorter (1.88 Å) and two longer (1.98 Å) Mn–O bond length. Both Mn–Cl bond lengths are 2.97 Å. In the third Mn site, Mn is bonded in a distorted rectangular see-saw-like geometry to four O and two Cl atoms. There is two shorter (1.89 Å) and two longer (1.98 Å) Mn–O bond length. There are one shorter (2.76 Å) and one longer (3.04 Å) Mn–Cl bond lengths. In the fourth Mn site, Mn is bonded in a distorted rectangular see-saw-like geometry to four O and two Cl atoms. There is two shorter (1.89 Å) and two longer (2.00 Å) Mn–O bond length. There are one shorter (2.77 Å) and one longer (3.01 Å) Mn–Cl bond lengths. In the fifth Mn site, Mn is bonded in an octahedral geometry to six Cl atoms. There are two shorter (2.67 Å) and four longer (2.72 Å) Mn–Cl bond lengths. There are five inequivalent O sites. In the first O site, O is bonded to one Yb and three Mn atoms to form a mixture of distorted edge and corner-sharing OYbMn3 trigonal pyramids. In the second O site, O is bonded in a trigonal planar geometry to one Yb and two equivalent Mn atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Yb and two equivalent Mn atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Yb and two Mn atoms. In the fifth O site, O is bonded to one Yb and three Mn atoms to form a mixture of distorted edge and corner-sharing OYbMn3 trigonal pyramids. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to four equivalent Mn atoms. In the second Cl site, Cl is bonded in a 1-coordinate geometry to five Mn atoms. In the third Cl site, Cl is bonded in a 4-coordinate geometry to four Mn atoms. In the fourth Cl site, Cl is bonded in a 1-coordinate geometry to five Mn atoms.
DOI: 10.17188/1687854
title: Materials Data on LiCoAsO4 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: 10.17188/1687855
title: Materials Data on Tb6Ni2Sn by Materials Project

description: Tb6Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two Ni and two Sn atoms. There are one shorter (2.76 Å) and one longer (3.22 Å) Tb–Ni bond lengths. There are one shorter (3.10 Å) and one longer (3.34 Å) Tb–Sn bond lengths. In the second Tb site, Tb is bonded in a 4-coordinate geometry to three Ni and one Sn atom. There are one shorter (2.71 Å) and two longer (2.90 Å) Tb–Ni bond lengths. The Tb–Sn bond length is 3.42 Å. In the third Tb site, Tb is bonded in a 5-coordinate geometry to three Ni and two Sn atoms. There are two shorter (2.96 Å) and one longer (3.18 Å) Tb–Ni bond lengths. There are one shorter (3.24 Å) and one longer (3.73 Å) Tb–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Tb atoms. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Tb and one Ni atom. The Ni–Ni bond length is 2.44 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to eight Tb atoms. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve Tb atoms.
DOI: 10.17188/1687856
title: Materials Data on Te2N2O7 by Materials Project

description: N2Te2O7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two N2Te2O7 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.36 Å) N–O bond length. In the second N1+ site, N1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.41 Å) N–O bond length. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.30 Å. In the second Te6+ site, Te6+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.18 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Te6+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one N1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two Te6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one N1+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a water-like geometry to two Te6+ atoms.
DOI: 10.17188/1687858
title: Materials Data on FeNiO3 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: 10.17188/1687859
title: Materials Data on PtN2(ClO)2 by Materials Project

description: PtCl2(NO)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is zero-dimensional and consists of four 1,3,2,4-dioxadiazetidine molecules and four platinum(ii) chloride molecules.
DOI: 10.17188/1687860
title: Materials Data on CsBa2Co2F9 by Materials Project

description: CsBa2Co2F9 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve F1- atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent CsF12 cuboctahedra, corners with three equivalent CoF6 octahedra, faces with four equivalent BaF12 cuboctahedra, and faces with four CoF6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Cs–F bond distances ranging from 2.98–3.18 Å. There are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent BaF12 cuboctahedra, faces with four equivalent CsF12 cuboctahedra, and faces with six CoF6 octahedra. There are a spread of Ba–F bond distances ranging from 2.78–3.01 Å. In the second Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ba–F bond distances ranging from 2.77–3.13 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with three equivalent CsF12 cuboctahedra, corners with three equivalent CoF6 octahedra, a faceface with one CsF12 cuboctahedra, and faces with three equivalent BaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. There are three shorter (2.00 Å) and three longer (2.14 Å) Co–F bond lengths. In the second Co2+ site, Co2+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with three equivalent CoF6 octahedra, faces with three equivalent CsF12 cuboctahedra, and faces with three equivalent BaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. There are three shorter (2.02 Å) and three longer (2.15 Å) Co–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+, three Ba2+, and one Co2+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two Ba2+, and one Co2+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Cs1+, three Ba2+, and two Co2+ atoms.
DOI: 10.17188/1687861
title: Materials Data on CuAsSe by Materials Project

description: CuAsSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu3+ is bonded to one As1- and three equivalent Se2- atoms to form CuAsSe3 tetrahedra that share a cornercorner with one SeCu3As tetrahedra and corners with six equivalent CuAsSe3 tetrahedra. The Cu–As bond length is 2.40 Å. All Cu–Se bond lengths are 2.43 Å. As1- is bonded in a 4-coordinate geometry to one Cu3+, two equivalent As1-, and one Se2- atom. Both As–As bond lengths are 2.57 Å. The As–Se bond length is 2.46 Å. Se2- is bonded to three equivalent Cu3+ and one As1- atom to form SeCu3As tetrahedra that share a cornercorner with one CuAsSe3 tetrahedra and corners with six equivalent SeCu3As tetrahedra.
DOI: 10.17188/1687862
title: Materials Data on LaAlCuNi3 by Materials Project

description: LaNi3CuAl crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to ten Ni, four equivalent Cu, and four equivalent Al atoms. There are a spread of La–Ni bond distances ranging from 2.92–3.27 Å. All La–Cu bond lengths are 3.23 Å. All La–Al bond lengths are 3.29 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La, two equivalent Ni, two equivalent Cu, and two equivalent Al atoms. Both Ni–Ni bond lengths are 2.51 Å. Both Ni–Cu bond lengths are 2.54 Å. Both Ni–Al bond lengths are 2.49 Å. In the second Ni site, Ni is bonded to four equivalent La, four equivalent Ni, two equivalent Cu, and two equivalent Al atoms to form distorted NiLa4Al2Cu2Ni4 cuboctahedra that share corners with four equivalent CuLa4Al2Ni6 cuboctahedra, corners with eight equivalent NiLa4Al2Cu2Ni4 cuboctahedra, edges with two equivalent NiLa4Al2Cu2Ni4 cuboctahedra, edges with four equivalent CuLa4Al2Ni6 cuboctahedra, faces with two equivalent NiLa4Al2Cu2Ni4 cuboctahedra, and faces with four equivalent CuLa4Al2Ni6 cuboctahedra. Both Ni–Cu bond lengths are 2.59 Å. Both Ni–Al bond lengths are 2.51 Å. Cu is bonded to four equivalent La, six Ni, and two equivalent Al atoms to form distorted CuLa4Al2Ni6 cuboctahedra that share corners with four equivalent NiLa4Al2Cu2Ni4 cuboctahedra, corners with eight equivalent CuLa4Al2Ni6 cuboctahedra, edges with two equivalent CuLa4Al2Ni6 cuboctahedra, edges with four equivalent NiLa4Al2Cu2Ni4 cuboctahedra, faces with two equivalent CuLa4Al2Ni6 cuboctahedra, and faces with four equivalent NiLa4Al2Cu2Ni4 cuboctahedra. Both Cu–Al bond lengths are 2.56 Å. Al is bonded in a 12-coordinate geometry to four equivalent La, six Ni, and two equivalent Cu atoms.
DOI: 10.17188/1687863
title: Materials Data on MgSc2Hg by Materials Project

description: MgSc2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. All Mg–Sc bond lengths are 3.07 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Hg atoms. All Sc–Hg bond lengths are 3.07 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1687864
title: Materials Data on Dy13Zn58 by Materials Project

description: Dy13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 2.87–3.50 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.03–3.31 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 2.96–3.23 Å. In the fourth Dy site, Dy is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.02–3.21 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.52–2.65 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Dy and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.00 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four Dy and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.68 Å. In the fourth Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form face-sharing ZnDy2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.67–2.73 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Dy and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.74 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Dy and six Zn atoms. There are two shorter (2.57 Å) and two longer (2.87 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 7-coordinate geometry to three Dy and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.03 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Dy and five Zn atoms. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Dy and seven Zn atoms. There are one shorter (2.62 Å) and two longer (2.79 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Dy and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Dy and nine Zn atoms to form face-sharing ZnDy3Zn9 cuboctahedra.
DOI: 10.17188/1687865
title: Materials Data on Mg2MnCr3S8 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: 10.17188/1687866
title: Materials Data on LaHgPd by Materials Project

description: LaPdHg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Hg atoms. There are four shorter (3.14 Å) and one longer (3.20 Å) La–Pd bond lengths. There are two shorter (3.36 Å) and four longer (3.46 Å) La–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Hg atoms. All Pd–Hg bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Hg atoms. All Pd–Hg bond lengths are 2.99 Å. Hg is bonded in a 10-coordinate geometry to six equivalent La and four Pd atoms.
DOI: 10.17188/1687867
title: Materials Data on CoO2 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: 10.17188/1687868
title: Materials Data on EuMg2 by Materials Project

description: EuMg2 is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Eu atoms to form a mixture of edge, corner, and face-sharing MgEu6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. All Mg–Eu bond lengths are 3.68 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Eu atoms to form a mixture of edge, corner, and face-sharing MgEu6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. All Mg–Eu bond lengths are 3.68 Å. Eu is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Eu atoms. There are three shorter (3.84 Å) and one longer (3.85 Å) Eu–Eu bond lengths.
DOI: 10.17188/1687869
title: Materials Data on V3O5F 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: 10.17037/data.00001948
title: Experimental data of two IRS hut trials with broflanilide 50WP conducted in Moshi, Tanzania

description: This collection contains data collected as part of two experimental hut trials that were conducted in Moshi, northern-Tanzania. The dataset includes experimental cone assay data, wild mosquito collections, molecular data and HPLC filter paper analysis data. It was collected as part of a research degree research study.
description: A novel meta-diamide insecticide, broflanilide (TENEBENAL), was evaluated in East African experimental huts in Moshi, northern Tanzania. Two consecutive experimental hut trials with broflanilide 50WP were conducted; the first evaluating the efficacy of three concentrations using a prototype formulation, and the second trial evaluating an improved formulation. The IRS treatments were applied on both mud and concrete surfaces and efficacy was monitored over time. Filter papers were sprayed and analysis using HPLC as a quality control measure. The mortality, blood-feeding inhibition and exiting behaviour of free-flying wild mosquitoes was compared between treatment arms. Wild mosquitoes were molecularly analysed for species ID and the L1014S (kdr-e) mutation. Furthermore, cone assays with pyrethroid-susceptible and resistant mosquito strains were conducted in the huts to determine residual efficacy of the insecticide.
DOI: 10.17188/1687870
title: Materials Data on NiP2(H4O5)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: 10.17188/1687871
title: Materials Data on FeCoSn by Materials Project

description: FeCoSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to six equivalent Co and five equivalent Sn atoms to form a mixture of distorted corner and face-sharing FeCo6Sn5 trigonal bipyramids. All Fe–Co bond lengths are 2.85 Å. There are three shorter (2.53 Å) and two longer (2.59 Å) Fe–Sn bond lengths. Co is bonded in a 2-coordinate geometry to six equivalent Fe, two equivalent Co, and six equivalent Sn atoms. Both Co–Co bond lengths are 2.59 Å. All Co–Sn bond lengths are 2.85 Å. Sn is bonded in a 5-coordinate geometry to five equivalent Fe and six equivalent Co atoms.
DOI: 10.17188/1687872
title: Materials Data on DyCu7 by Materials Project

description: DyCu7 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are a spread of Dy–Cu bond distances ranging from 2.88–3.27 Å. In the second Dy site, Dy is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are a spread of Dy–Cu bond distances ranging from 2.86–3.23 Å. There are ten inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.46–3.05 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three Dy and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.51–2.88 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three Dy and nine Cu atoms. There are four shorter (2.50 Å) and two longer (2.51 Å) Cu–Cu bond lengths. In the fourth Cu site, Cu is bonded to one Dy and eleven Cu atoms to form a mixture of distorted edge, face, and corner-sharing CuDyCu11 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.42–2.78 Å. In the fifth Cu site, Cu is bonded to four equivalent Dy and eight Cu atoms to form CuDy4Cu8 cuboctahedra that share corners with ten CuDy4Cu8 cuboctahedra, edges with six CuDy4Cu8 cuboctahedra, and faces with ten CuDyCu11 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.49 Å) Cu–Cu bond lengths. In the sixth Cu site, Cu is bonded to four equivalent Dy and eight Cu atoms to form a mixture of edge, face, and corner-sharing CuDy4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.50 Å. In the seventh Cu site, Cu is bonded in a 12-coordinate geometry to eight Cu atoms. All Cu–Cu bond lengths are 2.41 Å. In the eighth Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy and eight Cu atoms. There are one shorter (2.47 Å) and one longer (2.48 Å) Cu–Cu bond lengths. In the ninth Cu site, Cu is bonded to four Dy and eight Cu atoms to form CuDy4Cu8 cuboctahedra that share corners with thirteen CuDyCu11 cuboctahedra, edges with nine CuDy4Cu8 cuboctahedra, and faces with nine CuDy4Cu8 cuboctahedra. Both Cu–Cu bond lengths are 2.47 Å. In the tenth Cu site, Cu is bonded in a distorted hexagonal planar geometry to six Cu atoms.