cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207449
title: Materials Data on Ti3Zn2O8 by Materials Project

description: Zn2Ti3O8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with four equivalent TiO6 octahedra. There are four shorter (1.95 Å) and two longer (2.06 Å) Ti–O bond lengths. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with nine equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are three shorter (1.97 Å) and one longer (2.03 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ti4+ and one Zn2+ atom to form distorted corner-sharing OTi3Zn trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ti4+ and one Zn2+ atom.
DOI: 10.17188/1207450
title: Materials Data on Pr by Materials Project

description: Pr is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to twelve Pr atoms to form a mixture of edge, face, and corner-sharing PrPr12 cuboctahedra. There are six shorter (3.70 Å) and six longer (3.74 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to twelve Pr atoms to form a mixture of edge, face, and corner-sharing PrPr12 cuboctahedra. All Pr–Pr bond lengths are 3.74 Å.
DOI: 10.17188/1207451
title: Materials Data on ZnSe by Materials Project

description: ZnSe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form corner-sharing ZnSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. Se2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SeZn4 tetrahedra.
DOI: 10.17188/1207452
title: Materials Data on Yb3Al5O12 by Materials Project

description: Yb3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.36 Å) and four longer (2.48 Å) Yb–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. All Al–O bond lengths are 1.78 Å. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. All Al–O bond lengths are 1.92 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two Al3+ atoms.
DOI: 10.17188/1207453
title: Materials Data on Li2CdCl4 by Materials Project

description: Li2CdCl4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four Cl1- atoms to form LiCl4 tetrahedra that share corners with six equivalent LiCl6 octahedra and corners with six equivalent CdCl6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are two shorter (2.41 Å) and two longer (2.45 Å) Li–Cl bond lengths. In the second Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent LiCl4 tetrahedra, edges with two equivalent LiCl6 octahedra, and edges with four equivalent CdCl6 octahedra. There are two shorter (2.58 Å) and four longer (2.62 Å) Li–Cl bond lengths. Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share corners with six equivalent LiCl4 tetrahedra, edges with two equivalent CdCl6 octahedra, and edges with four equivalent LiCl6 octahedra. There are two shorter (2.61 Å) and four longer (2.69 Å) Cd–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to two Li1+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1207454
title: Materials Data on KHS by Materials Project

description: SKH1 crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to three equivalent H1+ and six equivalent S2- atoms. All K–H bond lengths are 2.91 Å. There are three shorter (3.30 Å) and three longer (3.35 Å) K–S bond lengths. H1+ is bonded in a distorted single-bond geometry to three equivalent K1+ and one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded in a single-bond geometry to six equivalent K1+ and one H1+ atom.
DOI: 10.25678/0002zn
title: Data for: Disruptions in loading and aeration impact effluent chlorine demand during biological greywater recycling

description: Data that is plotted in Ziemba, C., Sharma, P., Ahrens, T., Reynaert, E. and Morgenroth, E. (2021) Disruptions in loading and aeration impact effluent chlorine demand during biological greywater recycling. Water Research X, 100087
DOI: 10.17188/1207455
title: Materials Data on Na2PtO3 by Materials Project

description: Na2PtO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Na–O bond distances ranging from 2.23–2.58 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent PtO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Na–O bond distances ranging from 2.31–2.41 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with two equivalent PtO6 octahedra, corners with four NaO6 octahedra, edges with two equivalent PtO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Pt–O bond distances ranging from 2.05–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 7–15°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Pt4+ atoms to form a mixture of edge and corner-sharing ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 4–8°.
DOI: 10.17188/1207456
title: Materials Data on Ta4AlC3 by Materials Project

description: Ta4AlC3 is MAX Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Ta–Al bond lengths are 2.89 Å. All Ta–C bond lengths are 2.17 Å. In the second Ta site, Ta is bonded to six C atoms to form a mixture of edge and corner-sharing TaC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.22 Å) and three longer (2.25 Å) Ta–C bond lengths. Al is bonded in a 12-coordinate geometry to six equivalent Ta atoms. There are two inequivalent C sites. In the first C site, C is bonded to six Ta atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second C site, C is bonded to six equivalent Ta atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 1°.
DOI: 10.17188/1207457
title: Materials Data on Ta4AlC3 by Materials Project

description: Ta4AlC3 is MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Ta–Al bond lengths are 2.87 Å. All Ta–C bond lengths are 2.16 Å. In the second Ta site, Ta is bonded to six C atoms to form a mixture of distorted corner and edge-sharing TaC6 pentagonal pyramids. There are three shorter (2.24 Å) and three longer (2.26 Å) Ta–C bond lengths. Al is bonded in a 12-coordinate geometry to six equivalent Ta atoms. There are two inequivalent C sites. In the first C site, C is bonded to six Ta atoms to form a mixture of corner, edge, and face-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second C site, C is bonded to six equivalent Ta atoms to form a mixture of corner, edge, and face-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 47°.
DOI: 10.17188/1207458
title: Materials Data on SrCO3 by Materials Project

description: SrCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form corner-sharing SrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Sr–O bond lengths are 2.55 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one C4+ atom.
DOI: 10.17188/1207459
title: Materials Data on Sr(PRu)2 by Materials Project

description: SrRu2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Sr–P bond lengths are 3.33 Å. Ru2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing RuP4 tetrahedra. All Ru–P bond lengths are 2.33 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Ru2+ atoms.
DOI: 10.17188/1207460
title: Materials Data on Al(FeB)2 by Materials Project

description: AlFe2B2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to four equivalent Al and six equivalent B atoms. All Fe–Al bond lengths are 2.60 Å. There are four shorter (2.15 Å) and two longer (2.16 Å) Fe–B bond lengths. Al is bonded in a 2-coordinate geometry to eight equivalent Fe and two equivalent B atoms. Both Al–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to six equivalent Fe, one Al, and two equivalent B atoms. Both B–B bond lengths are 1.75 Å.
DOI: 10.17188/1207461
title: Materials Data on Al2CdSe4 by Materials Project

description: CdAl2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with twelve equivalent AlSe6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Cd–Se bond lengths are 2.64 Å. Al3+ is bonded to six equivalent Se2- atoms to form AlSe6 octahedra that share corners with six equivalent CdSe4 tetrahedra and edges with six equivalent AlSe6 octahedra. All Al–Se bond lengths are 2.60 Å. Se2- is bonded to one Cd2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SeAl3Cd trigonal pyramids.
DOI: 10.17188/1207462
title: Materials Data on Rb(TeO3)2 by Materials Project

description: Rb(TeO3)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rb is bonded to six equivalent O atoms to form RbO6 octahedra that share corners with twelve equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Rb–O bond lengths are 3.21 Å. Te is bonded to six equivalent O atoms to form TeO6 octahedra that share corners with six equivalent RbO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–68°. All Te–O bond lengths are 2.00 Å. O is bonded in a 3-coordinate geometry to one Rb and two equivalent Te atoms.
DOI: 10.5281/zenodo.4478973
title: Preventing taxane-related peripheral neuropathy, pain and nail toxicity: A prospective self-controlled trial comparing hilotherapy with frozen gloves in breast cancer

description: This dataset comprises the data of a self-controlled study exploring whether hilotherapy performs better in preventing taxane-related side-effects at the extremities (i.e. peripheral neuropathy, pain and nail toxicities) compared to frozen gloves in patients with early breast cancer.
DOI: 10.17188/1207463
title: Materials Data on KCe5S8 by Materials Project

description: KCe5S8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. K1+ is bonded to eight S2- atoms to form distorted KS8 hexagonal bipyramids that share corners with eight equivalent CeS8 hexagonal bipyramids, edges with four equivalent CeS8 hexagonal bipyramids, and faces with eight equivalent CeS8 hexagonal bipyramids. There are four shorter (3.02 Å) and four longer (3.17 Å) K–S bond lengths. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to eight S2- atoms to form distorted CeS8 hexagonal bipyramids that share corners with two equivalent KS8 hexagonal bipyramids, corners with six CeS8 hexagonal bipyramids, edges with four equivalent CeS8 hexagonal bipyramids, faces with two equivalent KS8 hexagonal bipyramids, and faces with six CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.83–3.14 Å. In the second Ce3+ site, Ce3+ is bonded to eight S2- atoms to form distorted CeS8 hexagonal bipyramids that share corners with eight equivalent CeS8 hexagonal bipyramids, edges with four equivalent KS8 hexagonal bipyramids, and faces with eight equivalent CeS8 hexagonal bipyramids. There are four shorter (2.87 Å) and four longer (3.03 Å) Ce–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to one K1+ and five Ce3+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to one K1+ and five Ce3+ atoms.
DOI: 10.5281/zenodo.4478972
title: Preventing taxane-related peripheral neuropathy, pain and nail toxicity: A prospective self-controlled trial comparing hilotherapy with frozen gloves in breast cancer

description: This dataset comprises the data of a self-controlled study exploring whether hilotherapy performs better in preventing taxane-related side-effects at the extremities (i.e. peripheral neuropathy, pain and nail toxicities) compared to frozen gloves in patients with early breast cancer.
DOI: 10.17188/1207464
title: Materials Data on K2UO4 by Materials Project

description: K2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.09 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.18 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent K1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent U6+ atoms.
DOI: 10.17188/1207467
title: Materials Data on Rb4Cl2O by Materials Project

description: Rb4OCl2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to one O2- and four equivalent Cl1- atoms. The Rb–O bond length is 2.75 Å. There are a spread of Rb–Cl bond distances ranging from 3.20–3.59 Å. O2- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. Cl1- is bonded in a 8-coordinate geometry to eight equivalent Rb1+ atoms.
DOI: 10.17188/1207468
title: Materials Data on SiRu by Materials Project

description: RuSi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Ru–Si bond lengths are 2.55 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Ru4+ atoms.
DOI: 10.17188/1207469
title: Materials Data on Hg(AsO3)2 by Materials Project

description: Hg(AsO3)2 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent O2- atoms to form HgO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Hg–O bond lengths are 2.41 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent HgO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent As5+ atoms.
DOI: 10.17188/1207470
title: Materials Data on Na3CeF7 by Materials Project

description: Na3CeF7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.36–2.57 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.75 Å. Ce4+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Ce–F bond distances ranging from 2.21–2.27 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of distorted edge and corner-sharing FNa3Ce trigonal pyramids. In the second F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Ce tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Ce4+ atom. In the fourth F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Ce tetrahedra. In the fifth F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Ce tetrahedra.
DOI: 10.17188/1207471
title: Materials Data on NaClO4 by Materials Project

description: NaClO4 is Zircon-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are four shorter (2.55 Å) and four longer (2.71 Å) Na–O bond lengths. O is bonded in a 3-coordinate geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four equivalent O atoms.
DOI: 10.17188/1207473
title: Materials Data on Ba(GaTe2)2 by Materials Project

description: Ba(GaTe2)2 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. All Ba–Te bond lengths are 3.64 Å. Ga3+ is bonded to four equivalent Te2- atoms to form edge-sharing GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1207474
title: Materials Data on Sm2CdSe4 by Materials Project

description: Sm2CdSe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Sm–Se bond distances ranging from 2.90–3.34 Å. Cd2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (2.82 Å) and four longer (3.38 Å) Cd–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1207475
title: Materials Data on Ba2ZrS4 by Materials Project

description: Ba2ZrS4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.10–3.56 Å. Zr4+ is bonded to six S2- atoms to form corner-sharing ZrS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.51 Å) and two longer (2.59 Å) Zr–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Ba2+ and one Zr4+ atom to form distorted SBa5Zr octahedra that share corners with seventeen SBa5Zr octahedra, edges with eight equivalent SBa5Zr octahedra, and faces with four equivalent SBa4Zr2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the second S2- site, S2- is bonded to four equivalent Ba2+ and two equivalent Zr4+ atoms to form distorted SBa4Zr2 octahedra that share corners with fourteen SBa5Zr octahedra, edges with two equivalent SBa4Zr2 octahedra, and faces with eight SBa5Zr octahedra. The corner-sharing octahedra tilt angles range from 0–54°.
DOI: 10.17188/1207476
title: Materials Data on Sr(SmSe2)2 by Materials Project

description: Sr(SmSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Se2- atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SrSe8 hexagonal bipyramids, and faces with eight equivalent SmSe8 hexagonal bipyramids. There are four shorter (3.08 Å) and four longer (3.26 Å) Sr–Se bond lengths. Sm3+ is bonded to eight equivalent Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with four equivalent SrSe8 hexagonal bipyramids, corners with four equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonal bipyramids, faces with four equivalent SrSe8 hexagonal bipyramids, and faces with four equivalent SmSe8 hexagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.95–3.23 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Sm3+ atoms.
DOI: 10.17188/1207477
title: Materials Data on Er6Ni2Sn by Materials Project

description: Er6Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to three Ni and one Sn atom. There are one shorter (2.69 Å) and two longer (2.87 Å) Er–Ni bond lengths. The Er–Sn bond length is 3.35 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to two Ni and two Sn atoms. There are one shorter (2.73 Å) and one longer (3.18 Å) Er–Ni bond lengths. There are one shorter (3.06 Å) and one longer (3.33 Å) Er–Sn bond lengths. In the third Er site, Er is bonded in a 5-coordinate geometry to three Ni and two Sn atoms. There are two shorter (2.88 Å) and one longer (3.13 Å) Er–Ni bond lengths. There are one shorter (3.21 Å) and one longer (3.60 Å) Er–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Er and one Ni atom. The Ni–Ni bond length is 2.49 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to eight Er atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Er atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Er atoms.