cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1745559
title: Materials Data on Na2HgPdF6 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: 10.17188/1745560
title: Materials Data on Y3Mg by Materials Project

description: MgY3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Y atoms. There are a spread of Mg–Y bond distances ranging from 3.45–3.57 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of edge, face, and corner-sharing YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.47–3.56 Å. In the second Y site, Y is bonded to four equivalent Mg and eight Y atoms to form a mixture of edge, face, and corner-sharing YY8Mg4 cuboctahedra. There are two shorter (3.50 Å) and two longer (3.56 Å) Y–Y bond lengths. In the third Y site, Y is bonded to four equivalent Mg and eight Y atoms to form YY8Mg4 cuboctahedra that share corners with ten equivalent YY8Mg4 cuboctahedra, edges with fourteen YY10Mg2 cuboctahedra, and faces with sixteen YY10Mg2 cuboctahedra. Both Y–Y bond lengths are 3.56 Å.
DOI: 10.17188/1745561
title: Materials Data on MnZnN2 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: 10.17188/1745562
title: Materials Data on Cs2KAuBr6 by Materials Project

description: Cs2KAuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent KBr6 octahedra, and faces with four equivalent AuBr6 octahedra. All Cs–Br bond lengths are 4.14 Å. K1+ is bonded to six equivalent Br1- atoms to form KBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Br bond lengths are 3.16 Å. Au3+ is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent KBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.67 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Au3+ atom.
DOI: 10.17188/1745563
title: Materials Data on NaV(NF3)2 by Materials Project

description: NaVF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one NaVF6 framework. In the NaVF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.41 Å. V5+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 1.82 Å. F1- is bonded in a linear geometry to one Na1+ and one V5+ atom.
DOI: 10.17188/1745565
title: Materials Data on LiInMo3O8 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: 10.17188/1745566
title: Materials Data on Mg2Ga by Materials Project

description: Mg2Ga crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and three Ga atoms to form distorted MgMg7Ga3 cuboctahedra that share corners with fourteen MgMg7Ga3 cuboctahedra, an edgeedge with one MgMg7Ga5 cuboctahedra, and faces with ten MgMg7Ga3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.17 Å. There are two shorter (2.98 Å) and one longer (3.03 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to seven Mg and five Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Ga5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.13 Å. There are a spread of Mg–Ga bond distances ranging from 2.95–3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Ga atoms. There are two shorter (3.10 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are a spread of Mg–Ga bond distances ranging from 2.87–3.14 Å. In the fourth Mg site, Mg is bonded to eight Mg and four Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with eight MgMg7Ga3 cuboctahedra, edges with four equivalent MgMg7Ga5 cuboctahedra, and faces with eleven MgMg7Ga3 cuboctahedra. Both Mg–Mg bond lengths are 3.10 Å. There are two shorter (3.05 Å) and two longer (3.14 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight Mg atoms. In the second Ga site, Ga is bonded in a 8-coordinate geometry to eight Mg atoms.
DOI: 10.17188/1745567
title: Materials Data on Li5Mn5(SnO6)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: 10.17188/1745568
title: Materials Data on V2O5 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: 10.25390/caryinstitute.11561448.v1
title: Cary Environmental Monitoring Program Stream Hydrology Data: 1993-2019

description: The Cary Institute of Ecosystem Studies Environmental Monitoring Program is a long-term data collection program designed to understand how the environment changes over time. The program includes monitoring of climate including temperature and precipitation, as well as variables related to air pollution, such as acid deposition and ozone, and water pollution and streamwater hydrology. The Cary Institute of Ecosystem Studies, Environmental Monitoring Program furnishes data under the following conditions: The data have received quality assurance scrutiny by our program, and, although we are confident of the accuracy of these data, the Cary Institute will not be held liable for errors in these data. Data are subject to change resulting from updates in data screening or models used. Data citation: The following is a standard citation for referencing data from the Cary Institute of Ecosystem Studies, Environmental Monitoring Program:<br>Cary Institute of Ecosystem Studies, Environmental Monitoring Program. 2019 (or current year). Cary Institute of Ecosystem Studies, Box AB, Millbrook, NY 12545, www.caryinstitute.org.<br>Those wishing to publish data from the Cary Institute of Ecosystem Studies, Environmental Monitoring Program are encouraged to contact Data Manager Vicky Kelly, kellyv@caryinstitute.org.
DOI: 10.17188/1745570
title: Materials Data on LiScRh2 by Materials Project

description: LiScRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Li–Rh bond lengths are 2.69 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.69 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.
DOI: 10.17188/1745572
title: Materials Data on MnCu(AgO2)2 by Materials Project

description: MnCu(AgO2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CuO6 octahedra. There is two shorter (1.97 Å) and four longer (2.02 Å) Mn–O bond length. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.10 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share edges with two equivalent CuO6 octahedra and edges with four equivalent MnO6 octahedra. There are four shorter (2.06 Å) and two longer (2.07 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mn4+, one Ag1+, and two equivalent Cu2+ atoms to form a mixture of distorted edge and corner-sharing OMnCu2Ag tetrahedra. In the second O2- site, O2- is bonded to two equivalent Mn4+, one Ag1+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn2CuAg tetrahedra.
DOI: 10.17188/1745573
title: Materials Data on Bi2Mo2Se2O13 by Materials Project

description: Mo2Bi2Se2O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.29 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.51 Å. There are two inequivalent Bi5+ sites. In the first Bi5+ site, Bi5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.35–2.61 Å. In the second Bi5+ site, Bi5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.73 Å. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.72 Å) and one longer (1.80 Å) Se–O bond length. In the second Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.77 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mo6+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi5+ and one Se2+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+, one Bi5+, and one Se2+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Bi5+ and one Se2+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi5+ and one Se2+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+, one Bi5+, and one Se2+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+, one Bi5+, and one Se2+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one Bi5+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mo6+ and two equivalent Bi5+ atoms. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two Mo6+ and one Bi5+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.
DOI: 10.17188/1745575
title: Materials Data on Li2CoSiO4 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: 10.17188/1745576
title: Materials Data on NpH3 by Materials Project

description: NpH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Np–H bond distances ranging from 2.14–2.38 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Np3+ atoms. In the second H1- site, H1- is bonded to four equivalent Np3+ atoms to form a mixture of corner, edge, and face-sharing HNp4 tetrahedra.
DOI: 10.17188/1745577
title: Materials Data on Lu2(B2Rh3)3 by Materials Project

description: Lu2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to one Lu, twelve Rh, and six equivalent B atoms. The Lu–Lu bond length is 3.49 Å. There are six shorter (3.01 Å) and six longer (3.29 Å) Lu–Rh bond lengths. All Lu–B bond lengths are 3.24 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Lu and four B atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Lu and four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Rh atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Lu and six Rh atoms.
DOI: 10.17188/1745578
title: Materials Data on Ba2Mo3O7 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: 10.17188/1745579
title: Materials Data on CaFe2(SiO3)4 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: 10.17188/1745580
title: Materials Data on Li2In2SiS6 by Materials Project

description: Li2In2SiS6 is Chalcostibite-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.53–2.74 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form distorted LiS4 tetrahedra that share corners with two equivalent SiS4 tetrahedra and corners with six InS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.53–2.59 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with two equivalent InS4 tetrahedra, corners with two equivalent SiS4 tetrahedra, and corners with three equivalent LiS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.50–2.55 Å. In the second In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with two equivalent InS4 tetrahedra, corners with two equivalent SiS4 tetrahedra, and corners with three equivalent LiS4 tetrahedra. There are three shorter (2.51 Å) and one longer (2.53 Å) In–S bond lengths. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with two equivalent LiS4 tetrahedra and corners with four InS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.12–2.14 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to two Li1+ and two In3+ atoms to form corner-sharing SLi2In2 tetrahedra. In the second S2- site, S2- is bonded to two Li1+ and two In3+ atoms to form distorted corner-sharing SLi2In2 tetrahedra. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one In3+, and one Si4+ atom. In the fourth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one In3+, and one Si4+ atom. In the fifth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one In3+, and one Si4+ atom. In the sixth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one In3+, and one Si4+ atom.
DOI: 10.17188/1745581
title: Materials Data on FeBiC6(N3O2)2 by Materials Project

description: FeBi(CN)6(O2)2 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four 1,2,3,4-tetraoxacyclobutane molecules; four iron molecules; and four Bi(CN)6 clusters. In each Bi(CN)6 cluster, there are two inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. Bi3+ is bonded in a distorted pentagonal pyramidal geometry to six N3- atoms. There are four shorter (2.39 Å) and two longer (2.63 Å) Bi–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to one C+3.33+ and one Bi3+ atom. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one C+3.33+ and one Bi3+ atom.
DOI: 10.17188/1745582
title: Materials Data on Rb3(MoCl4)2 by Materials Project

description: Rb3(MoCl4)2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.36–3.97 Å. In the second Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eleven Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.97 Å. Mo+2.50+ is bonded to five Cl1- atoms to form edge-sharing MoCl5 square pyramids. There are a spread of Mo–Cl bond distances ranging from 2.40–2.51 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Mo+2.50+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four Rb1+ and two equivalent Mo+2.50+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo+2.50+ atom. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo+2.50+ atom.
DOI: 10.17188/1745583
title: Materials Data on MgTl6Si2O7 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: 10.17188/1745584
title: Materials Data on Na2CoO3 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: 10.17188/1745585
title: Materials Data on Sr3Nd(FeO4)2 by Materials Project

description: Sr3Nd(FeO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.76 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.78 Å. In the third Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.77 Å. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.32–2.76 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Fe–O bond distances ranging from 1.91–2.26 Å. In the second Fe site, Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Fe–O bond distances ranging from 1.97–2.08 Å. There are five inequivalent O sites. In the first O site, O is bonded to five Sr and one Fe atom to form distorted OSr5Fe octahedra that share corners with seventeen OSr3NdFe2 octahedra, edges with eight OSr4NdFe octahedra, and faces with four equivalent OSr3NdFe2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second O site, O is bonded to four Sr, one Nd, and one Fe atom to form distorted OSr4NdFe octahedra that share corners with seventeen OSr3NdFe2 octahedra, edges with eight OSr5Fe octahedra, and faces with four equivalent OSr3NdFe2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O site, O is bonded to three Sr, two equivalent Nd, and one Fe atom to form distorted OSr3Nd2Fe octahedra that share corners with seventeen OSr3NdFe2 octahedra, edges with eight OSr5Fe octahedra, and faces with four equivalent OSr3NdFe2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fourth O site, O is bonded to three Sr, two equivalent Nd, and one Fe atom to form distorted OSr3Nd2Fe octahedra that share corners with seventeen OSr3NdFe2 octahedra, edges with eight OSr5Fe octahedra, and faces with four equivalent OSr3NdFe2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fifth O site, O is bonded to three Sr, one Nd, and two Fe atoms to form distorted OSr3NdFe2 octahedra that share corners with fourteen OSr5Fe octahedra, edges with two equivalent OSr3NdFe2 octahedra, and faces with eight OSr5Fe octahedra. The corner-sharing octahedra tilt angles range from 2–58°.
DOI: 10.17188/1745586
title: Materials Data on Ac by Materials Project

description: Ac is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Ac sites. In the first Ac site, Ac is bonded to twelve Ac atoms to form a mixture of corner, edge, and face-sharing AcAc12 cuboctahedra. There are six shorter (3.96 Å) and six longer (4.01 Å) Ac–Ac bond lengths. In the second Ac site, Ac is bonded to twelve Ac atoms to form a mixture of corner, edge, and face-sharing AcAc12 cuboctahedra. There are three shorter (3.99 Å) and six longer (4.01 Å) Ac–Ac bond lengths. In the third Ac site, Ac is bonded to twelve Ac atoms to form a mixture of corner, edge, and face-sharing AcAc12 cuboctahedra. There are three shorter (3.99 Å) and six longer (4.01 Å) Ac–Ac bond lengths. In the fourth Ac site, Ac is bonded to twelve Ac atoms to form a mixture of corner, edge, and face-sharing AcAc12 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.96–4.01 Å.