cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1266772
title: Materials Data on Rb2BeH4(SO5)2 by Materials Project

description: Rb2BeH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.15 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.78–3.31 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with two SO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.60–1.66 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.47–1.54 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Be2+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Be2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Be2+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Be2+, and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S6+ atom.
DOI: 10.17188/1266774
title: Materials Data on La3AgSnS7 by Materials Project

description: La3AgSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.94–3.31 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Ag–S bond lengths are 2.47 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.38 Å) and three longer (2.43 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Sn4+ atom.
DOI: 10.6084/m9.figshare.13627585.v1
title: The rhynchosaur record, including a new stenaulorhynchine taxon, from the Chañares Formation (upper Ladinian–?lowermost Carnian levels) of La Rioja Province, north-western Argentina

description: Rhynchosaurs were quadrupedal, bulky herbivorous archosauromorph diapsids with a highly specialized dental apparatus. This group is restricted to the Triassic Period and became extremely abundant worldwide during the late Carnian, numerically dominating some of the first dinosaur-bearing assemblages. Despite their high abundance in upper Carnian beds of South America, rhynchosaurs are restricted to a handful of specimens in the latest Ladinian–early Carnian tetrapod assemblages of this continent. Here, we improve the record of one of the oldest rhynchosaur assemblages of South America with the detailed description of all the rhynchosaur specimens currently known from the <i>Tarjadia</i> Assemblage Zone (AZ) (late Ladinian–?earliest Carnian) of the Chañares Formation (Ischigualasto-Villa Unión Basin, La Rioja Province). Most of these specimens were only preliminarily reported before, and as part of this revision we name the new taxon <i>Elorhynchus carrolli</i> gen. et sp. nov. based on one of these specimens, which represents the first new taxon for the Chañares Formation in 22 years. <i>Elorhynchus carrolli</i> and three more rhynchosaur specimens from the Chañares Formation are identified as stenaulorhynchine rhynchosaurs based on the presence of a crowded field of numerous lingual teeth in the dentary and the presence of small occlusal teeth in the maxillary tooth plate. Although their morphology is congruent, we did not refer the other stenaulorhynchine specimens to <i>Elorhynchus carrolli</i> because they lack diagnostic overlapping character states between them. Nevertheless, there is no current evidence for the presence of more than one rhynchosaur species in the Chañares Formation. The description of <i>Elorhynchus carrolli</i> and the other stenaulorhynchines from the Chañares Formation reinforces biostratigraphical links with the <i>Dinodontosaurus</i> AZ (Santa Maria Supersequence) of southern Brazil and the Lifua Member of the Manda Beds of Tanzania. http://zoobank.org/urn:lsid:zoobank.org:pub:E2662419-8AD5-4C1E-9900-BD1380BE65A4
DOI: 10.6084/m9.figshare.13562447
title: A new reptile from the lower Permian of Brazil (<i>Karutia fortunata</i> gen. et sp. nov.) and the interrelationships of Parareptilia

description: A new parareptile from the Cisuralian Pedra de Fogo Formation of north-eastern Brazil is described. <i>Karutia fortunata</i> gen. et sp. nov. is the first Gondwanan member of Acleistorhinidae, a clade previously known only from North America but thought to be closely related to the Russian Lanthanosuchidae. A re-examination of parareptile phylogeny indicates that lanthanosuchids are not closely related to acleistorhinids. These results are more congruent both stratigraphically and biogeographically than the previous ‘lanthanosuchoid’ position for acleistorhinids, as they eliminate a 15 Ma ghost lineage within parareptiles, leaving Acleistorhinidae as an exclusively Pennsylvanian/Cisuralian clade from western Pangaea. <i>Karutia fortunata</i> contributes to our knowledge of the early Permian diversity of Parareptilia in Gondwana, a clade previously represented only by the mesosaurid inhabitants of the Irati-Whitehill epicontinental sea in the southern portion of the supercontinent. The new parareptile joins captorhinids in the amniote record of the Pedra de Fogo Formation, improving our picture of the inland tetrapod fauna of the southern hemisphere during the Cisuralian. http://zoobank.org/urn:lsid:zoobank.org:pub:79D59764-4DA0-4C28-B4D3-C517BBF64D81
DOI: 10.6084/m9.figshare.13627585
title: The rhynchosaur record, including a new stenaulorhynchine taxon, from the Chañares Formation (upper Ladinian–?lowermost Carnian levels) of La Rioja Province, north-western Argentina

description: Rhynchosaurs were quadrupedal, bulky herbivorous archosauromorph diapsids with a highly specialized dental apparatus. This group is restricted to the Triassic Period and became extremely abundant worldwide during the late Carnian, numerically dominating some of the first dinosaur-bearing assemblages. Despite their high abundance in upper Carnian beds of South America, rhynchosaurs are restricted to a handful of specimens in the latest Ladinian–early Carnian tetrapod assemblages of this continent. Here, we improve the record of one of the oldest rhynchosaur assemblages of South America with the detailed description of all the rhynchosaur specimens currently known from the <i>Tarjadia</i> Assemblage Zone (AZ) (late Ladinian–?earliest Carnian) of the Chañares Formation (Ischigualasto-Villa Unión Basin, La Rioja Province). Most of these specimens were only preliminarily reported before, and as part of this revision we name the new taxon <i>Elorhynchus carrolli</i> gen. et sp. nov. based on one of these specimens, which represents the first new taxon for the Chañares Formation in 22 years. <i>Elorhynchus carrolli</i> and three more rhynchosaur specimens from the Chañares Formation are identified as stenaulorhynchine rhynchosaurs based on the presence of a crowded field of numerous lingual teeth in the dentary and the presence of small occlusal teeth in the maxillary tooth plate. Although their morphology is congruent, we did not refer the other stenaulorhynchine specimens to <i>Elorhynchus carrolli</i> because they lack diagnostic overlapping character states between them. Nevertheless, there is no current evidence for the presence of more than one rhynchosaur species in the Chañares Formation. The description of <i>Elorhynchus carrolli</i> and the other stenaulorhynchines from the Chañares Formation reinforces biostratigraphical links with the <i>Dinodontosaurus</i> AZ (Santa Maria Supersequence) of southern Brazil and the Lifua Member of the Manda Beds of Tanzania. http://zoobank.org/urn:lsid:zoobank.org:pub:E2662419-8AD5-4C1E-9900-BD1380BE65A4
DOI: 10.6084/m9.figshare.12311495
title: Data for publication "Incubation in wastewater reduces the multigenerational effects of microplastics in Daphnia magna"

description: Dataset for publication: 10.1021/acs.est.0c07911<br>The data set contains to following:<br>Raw data for adult (all surviving) and neonate size of the 4th brood.<br>Raw growth data for daphnids. Data set includes length data for two experiments with differing parental food levels. The subsequent generation was exposed to microplastics that were incubated in ultrapure water ("MP") and wastewater ("wwMP"), body length from the center of the eye to the base of the apical spinus was recorded thrice weekly.<br><br>The growth data was used to fit a von Bertalanffy growth equation from the FSA package in R with Rstudio (Ogle et al. 2019). The predictions are available in a separate file. <br><br>FTIR spectra for the material before and after grinding and the two microplastic types used in this study.<br>
DOI: 10.17188/1266776
title: Materials Data on ZnAu2(CN)4 by Materials Project

description: Au2Zn(CN)4 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional and consists of two Au2Zn(CN)4 frameworks. Au1+ is bonded in a distorted linear geometry to two C2+ atoms. Both Au–C bond lengths are 1.99 Å. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. All Zn–N bond lengths are 1.98 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom.
DOI: 10.17188/1266777
title: Materials Data on BaIrO3 by Materials Project

description: BaIrO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, corners with six IrO6 octahedra, and faces with six IrO6 octahedra. The corner-sharing octahedra tilt angles range from 6–20°. There are a spread of Ba–O bond distances ranging from 2.71–3.27 Å. In the second Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.62–2.96 Å. In the third Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.21 Å. There are four inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent IrO6 octahedra, faces with three equivalent BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–23°. There are a spread of Ir–O bond distances ranging from 2.03–2.09 Å. In the second Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent BaO12 cuboctahedra and faces with two equivalent IrO6 octahedra. There are two shorter (2.05 Å) and four longer (2.06 Å) Ir–O bond lengths. In the third Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent IrO6 octahedra, faces with three equivalent BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–23°. There are a spread of Ir–O bond distances ranging from 2.03–2.07 Å. In the fourth Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent BaO12 cuboctahedra and faces with two equivalent IrO6 octahedra. There are two shorter (2.05 Å) and four longer (2.06 Å) Ir–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ir4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ir4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Ba2+ and two Ir4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+ and two Ir4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+ and two Ir4+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+ and two Ir4+ atoms.
DOI: 10.17188/1266778
title: Materials Data on Tb(SiOs)2 by Materials Project

description: TbOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Tb–Os bond lengths are 3.20 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Tb3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.49 Å.
DOI: 10.17188/1266779
title: Materials Data on ZrPbO3 by Materials Project

description: PbZrO3 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 8–28°. There are a spread of Zr–O bond distances ranging from 2.08–2.23 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–3.04 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Zr4+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Zr4+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and two equivalent Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and two Pb2+ atoms.
DOI: 10.17188/1266781
title: Materials Data on Mn by Materials Project

description: Mn is beta structured and crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to twelve Mn atoms to form a mixture of distorted edge, corner, and face-sharing MnMn12 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.29–2.56 Å. In the second Mn site, Mn is bonded to twelve Mn atoms to form a mixture of distorted edge, corner, and face-sharing MnMn12 cuboctahedra. There are four shorter (2.51 Å) and two longer (2.60 Å) Mn–Mn bond lengths.
DOI: 10.17188/1266782
title: Materials Data on FeH12Pt(ClO)6 by Materials Project

description: Fe(H2O)6PtCl6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one iron hexahydrate molecule and one PtCl6 cluster. In the PtCl6 cluster, Pt4+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.34 Å) and four longer (2.36 Å) Pt–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom.
DOI: 10.17188/1266787
title: Materials Data on TiAl3 by Materials Project

description: Al3Ti is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to twelve Al atoms to form TiAl12 cuboctahedra that share corners with four equivalent TiAl12 cuboctahedra, corners with eight equivalent AlTi4Al8 cuboctahedra, edges with eight equivalent TiAl12 cuboctahedra, edges with sixteen equivalent AlTi4Al8 cuboctahedra, faces with four equivalent TiAl12 cuboctahedra, and faces with fourteen AlTi4Al8 cuboctahedra. There are four shorter (2.72 Å) and eight longer (2.88 Å) Ti–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Ti and eight equivalent Al atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent AlTi4Al8 cuboctahedra, corners with eight equivalent TiAl12 cuboctahedra, edges with twenty-four AlTi4Al8 cuboctahedra, faces with six equivalent TiAl12 cuboctahedra, and faces with twelve AlTi4Al8 cuboctahedra. All Al–Al bond lengths are 2.88 Å. In the second Al site, Al is bonded to four equivalent Ti and eight Al atoms to form AlTi4Al8 cuboctahedra that share corners with twelve equivalent AlTi4Al8 cuboctahedra, edges with eight equivalent TiAl12 cuboctahedra, edges with sixteen AlTi4Al8 cuboctahedra, faces with four equivalent TiAl12 cuboctahedra, and faces with fourteen AlTi4Al8 cuboctahedra. All Al–Al bond lengths are 2.72 Å.
DOI: 10.17188/1266788
title: Materials Data on NaGe2(PO4)3 by Materials Project

description: NaGe2P3O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.42 Å. In the second Na1+ site, Na1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.54 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.88 Å) and three longer (1.92 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.87 Å) and three longer (1.91 Å) Ge–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four GeO6 octahedra. The corner-sharing octahedra tilt angles range from 29–40°. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ge4+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ge4+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom.
DOI: 10.17188/1266792
title: Materials Data on Eu2(Ga3Ir)3 by Materials Project

description: Eu2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.09–3.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are two shorter (2.63 Å) and six longer (2.64 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.61–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Eu, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.89 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Eu, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–2.97 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Ir, and six Ga atoms. Both Ga–Ga bond lengths are 2.75 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.
DOI: 10.17188/1266795
title: Materials Data on TbMg2Cu9 by Materials Project

description: TbCu9Mg2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Mg–Cu bond distances ranging from 2.89–2.94 Å. Tb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.89 Å) and twelve longer (3.23 Å) Tb–Cu bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Mg and six equivalent Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with twelve equivalent CuTb2Mg3Cu7 cuboctahedra, edges with six equivalent CuMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuTb2Mg3Cu7 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. There are six shorter (2.51 Å) and three longer (2.89 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. All Cu–Cu bond lengths are 2.50 Å. In the fourth Cu site, Cu is bonded to three equivalent Mg, two equivalent Tb, and seven Cu atoms to form CuTb2Mg3Cu7 cuboctahedra that share corners with seventeen CuTb2Mg3Cu7 cuboctahedra, edges with eight equivalent CuTb2Mg3Cu7 cuboctahedra, and faces with fourteen CuMg6Cu6 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.52 Å) Cu–Cu bond lengths.