cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1704646
title: Materials Data on TaP by Materials Project

description: TaP is alpha Niobium phosphide structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ta3+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner, edge, and face-sharing TaP6 pentagonal pyramids. All Ta–P bond lengths are 2.54 Å. P3- is bonded to six equivalent Ta3+ atoms to form a mixture of distorted corner, edge, and face-sharing PTa6 pentagonal pyramids.
DOI: 10.17188/1704647
title: Materials Data on Zr2Sn by Materials Project

description: Zr2Sn crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are eight inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to one Zr and four Sn atoms. The Zr–Zr bond length is 3.17 Å. There are a spread of Zr–Sn bond distances ranging from 3.04–3.18 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to one Zr and four Sn atoms. The Zr–Zr bond length is 3.18 Å. There are a spread of Zr–Sn bond distances ranging from 2.98–3.20 Å. In the third Zr site, Zr is bonded in a distorted bent 120 degrees geometry to three equivalent Zr and two Sn atoms. There are one shorter (3.16 Å) and two longer (3.26 Å) Zr–Zr bond lengths. There are one shorter (3.03 Å) and one longer (3.07 Å) Zr–Sn bond lengths. In the fourth Zr site, Zr is bonded in a 12-coordinate geometry to two equivalent Zr and three Sn atoms. Both Zr–Zr bond lengths are 3.21 Å. There are a spread of Zr–Sn bond distances ranging from 3.05–3.14 Å. In the fifth Zr site, Zr is bonded to nine Zr and three Sn atoms to form distorted ZrZr9Sn3 cuboctahedra that share a cornercorner with one ZrZrSn4 cuboctahedra, edges with two equivalent ZrZr9Sn3 cuboctahedra, and faces with two equivalent ZrZr9Sn3 cuboctahedra. There are one shorter (3.14 Å) and one longer (3.20 Å) Zr–Zr bond lengths. There are one shorter (3.15 Å) and two longer (3.20 Å) Zr–Sn bond lengths. In the sixth Zr site, Zr is bonded to one Zr and four Sn atoms to form distorted ZrZrSn4 cuboctahedra that share corners with three ZrZr9Sn3 cuboctahedra and edges with two equivalent ZrZrSn4 cuboctahedra. There are one shorter (3.15 Å) and three longer (3.17 Å) Zr–Sn bond lengths. In the seventh Zr site, Zr is bonded in a 12-coordinate geometry to five Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.05–3.21 Å. In the eighth Zr site, Zr is bonded in a 12-coordinate geometry to one Zr and five Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.06–3.24 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Zr atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Zr atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to eight Zr atoms. In the fourth Sn site, Sn is bonded in a distorted hexagonal planar geometry to six Zr atoms.
DOI: 10.17188/1704648
title: Materials Data on NdIn by Materials Project

description: Nd(In) is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.36 Å. In is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1704649
title: Materials Data on Li4VO3F2 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: 10.17188/1704650
title: Materials Data on Li3CoPCO7 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: 10.17188/1704651
title: Materials Data on KSi2HO5 by Materials Project

description: KHSi2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.84–2.98 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.65 Å) Si–O bond length. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one Si4+, and one H1+ atom.
DOI: 10.17188/1704653
title: Materials Data on Na(CoO2)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: 10.17188/1704654
title: Materials Data on InTe5Pb4 by Materials Project

description: InPb4Te5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. In2+ is bonded to six Te2- atoms to form InTe6 octahedra that share corners with two equivalent PbTe6 octahedra, corners with four equivalent InTe6 octahedra, edges with four equivalent InTe6 octahedra, and edges with eight equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.25 Å) and two longer (3.30 Å) In–Te bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six PbTe6 octahedra, edges with four equivalent InTe6 octahedra, and edges with eight PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.25 Å) and two longer (3.31 Å) Pb–Te bond lengths. In the second Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share a cornercorner with one InTe6 octahedra, corners with five PbTe6 octahedra, and edges with twelve PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.25 Å) and two longer (3.32 Å) Pb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four equivalent In2+ and two equivalent Pb2+ atoms to form a mixture of corner and edge-sharing TeIn4Pb2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to six Pb2+ atoms to form TePb6 octahedra that share corners with six TeIn4Pb2 octahedra and edges with twelve TePb6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third Te2- site, Te2- is bonded to one In2+ and five Pb2+ atoms to form TeInPb5 octahedra that share corners with six TePb6 octahedra and edges with twelve TeIn4Pb2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1704655
title: Materials Data on Ho2Cu(GeO4)2 by Materials Project

description: Ho2Cu(GeO4)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.81 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.73 Å. Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–2.66 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. All Ge–O bond lengths are 1.79 Å. In the second Ge4+ site, Ge4+ is bonded to five O2- atoms to form corner-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.78–1.96 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.80 Å) Ge–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Ge4+ atom. In the second O2- site, O2- is bonded to two Ho3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OHo2CuGe trigonal pyramids. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Ho3+, two equivalent Cu2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Ho3+, one Cu2+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded to two Ho3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OHo2CuGe trigonal pyramids. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Ho3+ and two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded to two Ho3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OHo2CuGe trigonal pyramids.
DOI: 10.17188/1704656
title: Materials Data on Cs2TcCl6 by Materials Project

description: Cs2TcCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent TcCl6 octahedra. All Cs–Cl bond lengths are 3.75 Å. Tc4+ is bonded to six equivalent Cl1- atoms to form TcCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Tc–Cl bond lengths are 2.38 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Tc4+ atom.
DOI: 10.17188/1704657
title: Materials Data on AsSXeNF10 by Materials Project

description: XeAsNSF10 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight XeAsNSF10 clusters. Xe is bonded in a linear geometry to one N and one F atom. The Xe–N bond length is 2.18 Å. The Xe–F bond length is 2.69 Å. As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.76–1.83 Å. N is bonded in a distorted bent 120 degrees geometry to one Xe and one S atom. The N–S bond length is 1.57 Å. S is bonded in a trigonal bipyramidal geometry to one N and four F atoms. There are a spread of S–F bond distances ranging from 1.56–1.62 Å. There are ten inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one S atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one S atom. In the fifth F site, F is bonded in a single-bond geometry to one S atom. In the sixth F site, F is bonded in a single-bond geometry to one S atom. In the seventh F site, F is bonded in a single-bond geometry to one As atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe and one As atom. In the ninth F site, F is bonded in a single-bond geometry to one As atom. In the tenth F site, F is bonded in a single-bond geometry to one As atom.
DOI: 10.17188/1704658
title: Materials Data on Mn3B7IO13 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: 10.17188/1704659
title: Materials Data on Yb2MgSe4 by Materials Project

description: MgYb2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Se2- atoms. All Mg–Se bond lengths are 2.67 Å. Yb3+ is bonded to eight equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing YbSe8 hexagonal bipyramids. There are a spread of Yb–Se bond distances ranging from 2.94–3.05 Å. Se2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent Yb3+ atoms.
DOI: 10.6084/m9.figshare.5114506
title: Differences in glucose yield of residues from among varieties of rice, wheat, and sorghum after dilute acid pretreatment

description: Bio-refinery processes require use of the most suitable lignocellulosic biomass for enzymatic saccharification and microbial fermentation. Glucose yield from biomass solid fractions obtained after dilute sulfuric acid (1%) pretreatment (at 180 °C) was investigated using 14, 8, and 16 varieties of rice, wheat, and sorghum, respectively. Biomass solid fractions of each crop showed similar cellulose content. However, glucose yield after enzymatic hydrolysis (cellulase loading at 6.6 filter paper unit/g-biomass) was different among the varieties of each crop, indicating genotypic differences for rice, wheat, and sorghum. Nuclear magnetic resonance method revealed that the high residual level of lignin aromatic regions decreased glucose yield from solid fraction of sorghum.
DOI: 10.17188/1704660
title: Materials Data on ZrMnO5F6 by Materials Project

description: ZrMn(OF2)3O2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four oxygen molecules and two ZrMn(OF2)3 ribbons oriented in the (0, 1, 0) direction. In each ZrMn(OF2)3 ribbon, Zr is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Zr–F bond distances ranging from 2.02–2.23 Å. Mn is bonded in a 5-coordinate geometry to three O and two equivalent F atoms. There is one shorter (1.58 Å) and two longer (1.59 Å) Mn–O bond length. Both Mn–F bond lengths are 2.01 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a single-bond geometry to one Mn atom. There are four inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two equivalent Zr atoms. In the second F site, F is bonded in a bent 120 degrees geometry to two equivalent Zr atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one Zr and one Mn atom. In the fourth F site, F is bonded in a single-bond geometry to one Zr atom.
DOI: 10.17188/1704662
title: Materials Data on Ba2CaFe2CuF14 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: 10.17188/1704663
title: Materials Data on Zr6NiTe2 by Materials Project

description: Zr6NiTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Te atoms. Both Zr–Ni bond lengths are 2.62 Å. Both Zr–Te bond lengths are 3.00 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Te atoms. The Zr–Ni bond length is 3.13 Å. All Zr–Te bond lengths are 2.99 Å. Ni is bonded in a 9-coordinate geometry to nine Zr atoms. Te is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1704664
title: Materials Data on Cd(NO5)2 by Materials Project

description: Cd(NO3)2(O2)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen hydrogen peroxide molecules and eight Cd(NO3)2 clusters. In each Cd(NO3)2 cluster, Cd is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.26 Å) and two longer (2.30 Å) Cd–O bond lengths. N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.30 Å) N–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in an L-shaped geometry to one Cd and one N atom. In the third O site, O is bonded in an L-shaped geometry to one Cd and one N atom.
DOI: 10.17188/1704665
title: Materials Data on Na3Ni2P2(CO7)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: 10.17188/1704666
title: Materials Data on Ta2W2O11 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: 10.17188/1704667
title: Materials Data on Zn13Fe by Materials Project

description: FeZn13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Fe is bonded to twelve Zn atoms to form FeZn12 cuboctahedra that share corners with two equivalent FeZn12 cuboctahedra and faces with two equivalent ZnZn10Fe2 cuboctahedra. There are a spread of Fe–Zn bond distances ranging from 2.62–2.79 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to one Fe and eleven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–3.13 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Fe and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.54–3.11 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to one Fe and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.54–2.83 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. The Zn–Zn bond length is 2.62 Å. In the fifth Zn site, Zn is bonded to two equivalent Fe and ten Zn atoms to form ZnZn10Fe2 cuboctahedra that share corners with two equivalent ZnZn10Fe2 cuboctahedra and faces with two equivalent FeZn12 cuboctahedra.
DOI: 10.17188/1704668
title: Materials Data on CaYbEu2 by Materials Project

description: CaYbEu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Ca–Eu bond lengths are 3.77 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Yb–Eu bond lengths are 3.77 Å. Eu is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Yb atoms.
DOI: 10.17188/1704669
title: Materials Data on Pu2Zn17 by Materials Project

description: Pu2Zn17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.07–3.46 Å. In the second Pu site, Pu is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.09–3.42 Å. There are eight inequivalent Zn sites. In the first Zn site, Zn is bonded in a 1-coordinate geometry to one Pu and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.71–3.04 Å. In the second Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnPu2Zn10 cuboctahedra. There are two shorter (2.62 Å) and six longer (2.63 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form ZnPu2Zn10 cuboctahedra that share corners with eighteen ZnPu2Zn10 cuboctahedra, edges with six ZnPu3Zn9 cuboctahedra, and faces with fourteen ZnPu2Zn10 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.63 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two Pu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–2.77 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to two Pu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–2.76 Å. In the sixth Zn site, Zn is bonded to two Pu and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnPu2Zn10 cuboctahedra. There are two shorter (2.71 Å) and two longer (2.75 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnPu3Zn9 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.54 Å) Zn–Zn bond lengths. In the eighth Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnPu3Zn9 cuboctahedra.
DOI: 10.17188/1704670
title: Materials Data on MgFe2O3 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: 10.17188/1704672
title: Materials Data on Li2FeH8(SO6)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: 10.17188/1704673
title: Materials Data on Li3Rh by Materials Project

description: Li3Rh is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Rh4 tetrahedra. All Li–Li bond lengths are 2.61 Å. All Li–Rh bond lengths are 2.61 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Rh atoms. All Li–Rh bond lengths are 3.02 Å. Rh is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
DOI: 10.17188/1704674
title: Materials Data on Dy3Mg by Materials Project

description: MgDy3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.38 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Mg and eight Dy atoms to form a mixture of edge, corner, and face-sharing DyDy8Mg4 cuboctahedra. There are four shorter (3.50 Å) and four longer (3.55 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to twelve Dy atoms to form DyDy12 cuboctahedra that share corners with four equivalent DyDy12 cuboctahedra, edges with sixteen equivalent DyDy8Mg4 cuboctahedra, and faces with sixteen DyDy8Mg4 cuboctahedra. All Dy–Dy bond lengths are 3.55 Å.