cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1688036
title: Materials Data on PuGaRh by Materials Project

description: PuRhGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 5-coordinate geometry to five Rh and six Ga atoms. There are four shorter (2.87 Å) and one longer (2.88 Å) Pu–Rh bond lengths. There are two shorter (3.07 Å) and four longer (3.19 Å) Pu–Ga bond lengths. In the second Pu site, Pu is bonded in a 5-coordinate geometry to five Rh and six Ga atoms. There are two shorter (2.87 Å) and three longer (2.88 Å) Pu–Rh bond lengths. There are two shorter (3.06 Å) and four longer (3.19 Å) Pu–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six Pu and three Ga atoms. There are two shorter (2.66 Å) and one longer (2.67 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three Pu and six Ga atoms. All Rh–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to six Pu and four Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to six Pu and four Rh atoms.
DOI: 10.17188/1688037
title: Materials Data on SrTlCu3Se4 by Materials Project

description: SrCu3TlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent Se2- atoms to form SrSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Sr–Se bond lengths are 2.88 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.69 Å. Tl1+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.58 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Sr2+, three equivalent Cu+1.67+, and one Tl1+ atom.
DOI: 10.17188/1688038
title: Materials Data on NdCo3 by Materials Project

description: NdCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.19 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.20 Å) Nd–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Nd and seven Co atoms to form a mixture of face, edge, and corner-sharing CoNd5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.60 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Nd and six equivalent Co atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent CoNd5Co7 cuboctahedra, edges with six equivalent CoNd6Co6 cuboctahedra, and faces with eighteen equivalent CoNd5Co7 cuboctahedra.
DOI: 10.17188/1688039
title: Materials Data on Mn4Cu by Materials Project

description: CuMn4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded to nine Mn and three equivalent Cu atoms to form MnMn9Cu3 cuboctahedra that share corners with twelve MnMn9Cu3 cuboctahedra, edges with six equivalent CuMn6Cu6 cuboctahedra, edges with eighteen MnMn9Cu3 cuboctahedra, faces with six equivalent CuMn6Cu6 cuboctahedra, and faces with twelve MnMn9Cu3 cuboctahedra. There are three shorter (2.40 Å) and six longer (2.49 Å) Mn–Mn bond lengths. All Mn–Cu bond lengths are 2.62 Å. In the second Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share corners with three equivalent CuMn6Cu6 cuboctahedra, corners with nine MnMn9Cu3 cuboctahedra, edges with three equivalent CuMn6Cu6 cuboctahedra, edges with twenty-one MnMn9Cu3 cuboctahedra, and faces with eighteen MnMn9Cu3 cuboctahedra. There are six shorter (2.49 Å) and three longer (2.57 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share corners with three equivalent CuMn6Cu6 cuboctahedra, corners with nine MnMn9Cu3 cuboctahedra, edges with three equivalent CuMn6Cu6 cuboctahedra, edges with twenty-one MnMn9Cu3 cuboctahedra, and faces with eighteen MnMn9Cu3 cuboctahedra. There are three shorter (2.40 Å) and six longer (2.49 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share corners with three equivalent CuMn6Cu6 cuboctahedra, corners with nine MnMn9Cu3 cuboctahedra, edges with three equivalent CuMn6Cu6 cuboctahedra, edges with twenty-one MnMn9Cu3 cuboctahedra, and faces with eighteen MnMn9Cu3 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.40–2.57 Å. In the fifth Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share corners with three equivalent CuMn6Cu6 cuboctahedra, corners with nine MnMn9Cu3 cuboctahedra, edges with three equivalent CuMn6Cu6 cuboctahedra, edges with twenty-one MnMn9Cu3 cuboctahedra, and faces with eighteen MnMn9Cu3 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.40–2.57 Å. Cu is bonded to six equivalent Mn and six equivalent Cu atoms to form CuMn6Cu6 cuboctahedra that share corners with six MnMn12 cuboctahedra, corners with six equivalent CuMn6Cu6 cuboctahedra, edges with six equivalent CuMn6Cu6 cuboctahedra, edges with eighteen MnMn9Cu3 cuboctahedra, faces with six equivalent CuMn6Cu6 cuboctahedra, and faces with twelve equivalent MnMn9Cu3 cuboctahedra. All Cu–Cu bond lengths are 2.49 Å.
DOI: 10.17188/1688040
title: Materials Data on IrOsRu by Materials Project

description: OsRuIr is Copper-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Os is bonded to six equivalent Os, three equivalent Ru, and three equivalent Ir atoms to form OsIr3Os6Ru3 cuboctahedra that share corners with three equivalent RuIr3Os3Ru6 cuboctahedra, corners with three equivalent IrIr6Os3Ru3 cuboctahedra, corners with six equivalent OsIr3Os6Ru3 cuboctahedra, edges with six equivalent OsIr3Os6Ru3 cuboctahedra, edges with nine equivalent RuIr3Os3Ru6 cuboctahedra, edges with nine equivalent IrIr6Os3Ru3 cuboctahedra, faces with six equivalent OsIr3Os6Ru3 cuboctahedra, faces with six equivalent RuIr3Os3Ru6 cuboctahedra, and faces with six equivalent IrIr6Os3Ru3 cuboctahedra. All Os–Os bond lengths are 2.73 Å. All Os–Ru bond lengths are 2.67 Å. All Os–Ir bond lengths are 2.75 Å. Ru is bonded to three equivalent Os, six equivalent Ru, and three equivalent Ir atoms to form RuIr3Os3Ru6 cuboctahedra that share corners with three equivalent OsIr3Os6Ru3 cuboctahedra, corners with three equivalent IrIr6Os3Ru3 cuboctahedra, corners with six equivalent RuIr3Os3Ru6 cuboctahedra, edges with six equivalent RuIr3Os3Ru6 cuboctahedra, edges with nine equivalent OsIr3Os6Ru3 cuboctahedra, edges with nine equivalent IrIr6Os3Ru3 cuboctahedra, faces with six equivalent OsIr3Os6Ru3 cuboctahedra, faces with six equivalent RuIr3Os3Ru6 cuboctahedra, and faces with six equivalent IrIr6Os3Ru3 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å. All Ru–Ir bond lengths are 2.76 Å. Ir is bonded to three equivalent Os, three equivalent Ru, and six equivalent Ir atoms to form IrIr6Os3Ru3 cuboctahedra that share corners with three equivalent OsIr3Os6Ru3 cuboctahedra, corners with three equivalent RuIr3Os3Ru6 cuboctahedra, corners with six equivalent IrIr6Os3Ru3 cuboctahedra, edges with six equivalent IrIr6Os3Ru3 cuboctahedra, edges with nine equivalent OsIr3Os6Ru3 cuboctahedra, edges with nine equivalent RuIr3Os3Ru6 cuboctahedra, faces with six equivalent OsIr3Os6Ru3 cuboctahedra, faces with six equivalent RuIr3Os3Ru6 cuboctahedra, and faces with six equivalent IrIr6Os3Ru3 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å.
DOI: 10.17188/1688041
title: Materials Data on AlNi6Pd by Materials Project

description: PdNi6Al is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Ni atoms to form PdNi12 cuboctahedra that share corners with four equivalent PdNi12 cuboctahedra, corners with eight equivalent AlNi12 cuboctahedra, edges with twenty-four NiAl4Ni8 cuboctahedra, faces with two equivalent AlNi12 cuboctahedra, faces with four equivalent PdNi12 cuboctahedra, and faces with twelve NiNi8Pd4 cuboctahedra. There are four shorter (2.54 Å) and eight longer (2.60 Å) Pd–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight equivalent Ni and four equivalent Al atoms to form NiAl4Ni8 cuboctahedra that share corners with twelve NiAl4Ni8 cuboctahedra, edges with eight equivalent PdNi12 cuboctahedra, edges with sixteen equivalent NiAl2Ni8Pd2 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. All Ni–Al bond lengths are 2.54 Å. In the second Ni site, Ni is bonded to four equivalent Pd and eight equivalent Ni atoms to form distorted NiNi8Pd4 cuboctahedra that share corners with twelve NiAl4Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen equivalent NiAl2Ni8Pd2 cuboctahedra, faces with four equivalent PdNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.60 Å. In the third Ni site, Ni is bonded to two equivalent Pd, eight Ni, and two equivalent Al atoms to form distorted NiAl2Ni8Pd2 cuboctahedra that share corners with twelve equivalent NiAl2Ni8Pd2 cuboctahedra, edges with four equivalent PdNi12 cuboctahedra, edges with four equivalent AlNi12 cuboctahedra, edges with sixteen NiAl4Ni8 cuboctahedra, faces with two equivalent PdNi12 cuboctahedra, faces with two equivalent AlNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.54 Å. Both Ni–Al bond lengths are 2.50 Å. Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with eight equivalent PdNi12 cuboctahedra, edges with twenty-four NiNi8Pd4 cuboctahedra, faces with two equivalent PdNi12 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with twelve NiAl4Ni8 cuboctahedra.
DOI: 10.17188/1688042
title: Materials Data on Eu3Bi by Materials Project

description: Eu3Bi is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded in a distorted see-saw-like geometry to four equivalent Bi atoms. There are two shorter (3.62 Å) and two longer (3.70 Å) Eu–Bi bond lengths. Bi is bonded to twelve equivalent Eu atoms to form a mixture of face and corner-sharing BiEu12 cuboctahedra.
DOI: 10.17188/1688043
title: Materials Data on MnCrSi2 by Materials Project

description: CrMnSi2 is alpha-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cr6+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.32–2.55 Å. Mn2+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Mn–Si bond distances ranging from 2.26–2.53 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to three equivalent Cr6+ and four equivalent Mn2+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to four equivalent Cr6+ and three equivalent Mn2+ atoms.
DOI: 10.17188/1688045
title: Materials Data on Y2O3 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: 10.17188/1688046
title: Materials Data on LiLaTl2 by Materials Project

description: LiLaTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiLaTl2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Tl atoms. Both Li–Tl bond lengths are 2.78 Å. La is bonded in a linear geometry to two equivalent Tl atoms. Both La–Tl bond lengths are 3.16 Å. Tl is bonded in a linear geometry to one Li and one La atom.
DOI: 10.17188/1688047
title: Materials Data on Dy2GaCu3 by Materials Project

description: Dy2Cu3Ga crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to nine Cu and three equivalent Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.94–3.16 Å. There are one shorter (3.01 Å) and two longer (3.14 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to nine Cu and three equivalent Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.94–3.15 Å. There are two shorter (3.01 Å) and one longer (3.05 Å) Dy–Ga bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. There are two shorter (2.50 Å) and one longer (2.76 Å) Cu–Cu bond lengths. The Cu–Ga bond length is 2.53 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, two Cu, and two equivalent Ga atoms. The Cu–Cu bond length is 2.55 Å. Both Cu–Ga bond lengths are 2.48 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. The Cu–Ga bond length is 2.72 Å. Ga is bonded in a 10-coordinate geometry to six Dy and four Cu atoms.
DOI: 10.17188/1688048
title: Materials Data on V3Zn2O8 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: 10.17188/1688050
title: Materials Data on TbVO2 by Materials Project

description: TbVO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded to six equivalent O atoms to form edge-sharing TbO6 octahedra. There are four shorter (2.34 Å) and two longer (2.36 Å) Tb–O bond lengths. V is bonded in a square co-planar geometry to four equivalent O atoms. All V–O bond lengths are 2.20 Å. O is bonded to three equivalent Tb and two equivalent V atoms to form a mixture of distorted corner and edge-sharing OTb3V2 trigonal bipyramids.
DOI: 10.17188/1688051
title: Materials Data on C7Cl8 by Materials Project

description: C(CCl)5CCl3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloroform molecules, twenty chloromethane molecules, and four methane molecules.
DOI: 10.17188/1688052
title: Materials Data on Sr2AlV2GaO7 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: 10.17188/1688053
title: Materials Data on Na2CrAgF6 by Materials Project

description: Na2CrAgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent CrF6 octahedra, and faces with four equivalent AgF6 octahedra. All Na–F bond lengths are 3.03 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.92 Å. Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.35 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Cr3+, and one Ag1+ atom.
DOI: 10.17188/1688054
title: Materials Data on La5Pb3 by Materials Project

description: La5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.46 Å. In the second La site, La is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of La–Pb bond distances ranging from 3.30–3.76 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms.
DOI: 10.17188/1688056
title: Materials Data on AlCuSe2 by Materials Project

description: CuAlSe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Cu–Se bond lengths are 2.80 Å. Al3+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Al–Se bond lengths are 2.80 Å. Se2- is bonded in a body-centered cubic geometry to four equivalent Cu1+ and four equivalent Al3+ atoms.
DOI: 10.17188/1688057
title: Materials Data on LaNi3B by Materials Project

description: LaNi3B crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to twelve Ni and two equivalent B atoms. There are a spread of La–Ni bond distances ranging from 3.00–3.19 Å. Both La–B bond lengths are 2.98 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted linear geometry to four equivalent La and two equivalent B atoms. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to four equivalent La and two equivalent B atoms. Both Ni–B bond lengths are 2.03 Å. B is bonded in a 6-coordinate geometry to two equivalent La and six Ni atoms.
DOI: 10.17188/1688058
title: Materials Data on LaAsS by Materials Project

description: LaAsS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of La–As bond distances ranging from 3.22–3.33 Å. There are four shorter (2.92 Å) and one longer (2.98 Å) La–S bond lengths. As1- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent As1- atoms. There are one shorter (2.56 Å) and one longer (2.58 Å) As–As bond lengths. S2- is bonded to five equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids.
DOI: 10.17188/1688060
title: Materials Data on GdHg3 by Materials Project

description: GdHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded to twelve Hg atoms to form a mixture of face and corner-sharing GdHg12 cuboctahedra. There are a spread of Gd–Hg bond distances ranging from 3.20–3.37 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Gd atoms. In the second Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Gd atoms.
DOI: 10.17188/1688062
title: Materials Data on CaEuSi4 by Materials Project

description: CaEuSi4 is hexagonal omega structure-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ca is bonded to twelve Si atoms to form CaSi12 cuboctahedra that share edges with four equivalent CaSi12 cuboctahedra, edges with eight equivalent EuSi12 cuboctahedra, faces with four equivalent CaSi12 cuboctahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.23 Å) Ca–Si bond lengths. Eu is bonded to twelve Si atoms to form EuSi12 cuboctahedra that share edges with four equivalent EuSi12 cuboctahedra, edges with eight equivalent CaSi12 cuboctahedra, faces with four equivalent CaSi12 cuboctahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.23 Å) Eu–Si bond lengths. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ca, two equivalent Eu, and three Si atoms. There are one shorter (2.30 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Ca, four equivalent Eu, and three Si atoms. The Si–Si bond length is 2.29 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Ca, four equivalent Eu, and three Si atoms. There are one shorter (2.29 Å) and two longer (2.40 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ca, two equivalent Eu, and three Si atoms. All Si–Ca bond lengths are 3.23 Å. Both Si–Eu bond lengths are 3.10 Å. There are one shorter (2.30 Å) and two longer (2.40 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ca, two equivalent Eu, and three Si atoms. All Si–Ca bond lengths are 3.23 Å. Both Si–Si bond lengths are 2.40 Å.