cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1752094
title: Materials Data on GdSiPt by Materials Project

description: GdPtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Gd is bonded to six equivalent Pt and six equivalent Si atoms to form a mixture of edge and face-sharing GdSi6Pt6 cuboctahedra. All Gd–Pt bond lengths are 3.16 Å. There are four shorter (3.14 Å) and two longer (3.21 Å) Gd–Si bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Si atoms. There are two shorter (2.39 Å) and one longer (2.42 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Si atoms. All Pt–Gd bond lengths are 3.16 Å. There are two shorter (2.39 Å) and one longer (2.42 Å) Pt–Si bond lengths. In the third Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Si atoms. All Pt–Gd bond lengths are 3.16 Å. There are two shorter (2.39 Å) and one longer (2.42 Å) Pt–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Pt atoms.
DOI: 10.17188/1752095
title: Materials Data on SnC8(NCl3)2 by Materials Project

description: (C4N)2SnCl6 is Fluorite structured and crystallizes in the cubic Fd-3c space group. The structure is zero-dimensional and consists of sixty-four tetramethylammonium molecules and thirty-two SnCl6 clusters. In each SnCl6 cluster, Sn4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Sn–Cl bond lengths are 2.49 Å. Cl1- is bonded in a single-bond geometry to one Sn4+ atom.
DOI: 10.17188/1752096
title: Materials Data on Ba4Y2Cu7O15 by Materials Project

description: Y2Ba4Cu7O15 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.06 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.05 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.39–2.45 Å. There are four inequivalent Cu+2.29+ sites. In the first Cu+2.29+ site, Cu+2.29+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.96–2.30 Å. In the second Cu+2.29+ site, Cu+2.29+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.85–1.95 Å. In the third Cu+2.29+ site, Cu+2.29+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are four shorter (1.97 Å) and one longer (2.31 Å) Cu–O bond lengths. In the fourth Cu+2.29+ site, Cu+2.29+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.96 Å) Cu–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+ and two Cu+2.29+ atoms to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu+2.29+ atoms. In the third O2- site, O2- is bonded to four equivalent Ba2+ and two Cu+2.29+ atoms to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu+2.29+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Cu+2.29+ atoms. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and three equivalent Cu+2.29+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu+2.29+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu+2.29+ atoms.
DOI: 10.17188/1752097
title: Materials Data on Mg5Cu by Materials Project

description: Mg5Cu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Cu atoms to form distorted MgMg9Cu3 cuboctahedra that share corners with nine equivalent MgMg9Cu3 cuboctahedra, corners with nine equivalent CuMg12 cuboctahedra, edges with eighteen MgMg9Cu3 cuboctahedra, faces with three equivalent CuMg12 cuboctahedra, and faces with seventeen MgMg9Cu3 cuboctahedra. There are six shorter (3.04 Å) and three longer (3.07 Å) Mg–Mg bond lengths. All Mg–Cu bond lengths are 3.07 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Cu atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with eighteen equivalent MgMg10Cu2 cuboctahedra, edges with four equivalent CuMg12 cuboctahedra, edges with fourteen MgMg9Cu3 cuboctahedra, faces with four equivalent CuMg12 cuboctahedra, and faces with sixteen MgMg9Cu3 cuboctahedra. There are two shorter (2.91 Å) and four longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Cu bond lengths are 2.96 Å. Cu is bonded to twelve Mg atoms to form CuMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Cu3 cuboctahedra, edges with six equivalent CuMg12 cuboctahedra, edges with twelve equivalent MgMg10Cu2 cuboctahedra, faces with two equivalent CuMg12 cuboctahedra, and faces with eighteen MgMg9Cu3 cuboctahedra.
DOI: 10.17188/1752098
title: Materials Data on CrHg3O5 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: 10.17188/1752099
title: Materials Data on Nd2Si5Rh3 by Materials Project

description: Nd2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of Nd–Rh bond distances ranging from 3.13–3.43 Å. There are a spread of Nd–Si bond distances ranging from 3.02–3.24 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Nd and six Si atoms. There are four shorter (2.46 Å) and two longer (2.65 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.45 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Nd, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.54 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Nd, three Rh, and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Rh atoms.
DOI: 10.17188/1752100
title: Materials Data on Tb6Mg(GeS7)2 by Materials Project

description: MgTb6(GeS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Mg2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.56 Å) and three longer (2.61 Å) Mg–S bond lengths. There are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.75–3.34 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.74–3.26 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.20 Å) and three longer (2.24 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.21 Å) and three longer (2.24 Å) Ge–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Tb3+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Tb3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Tb3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Mg2+ and four Tb3+ atoms. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Ge4+ atom.
DOI: 10.17188/1752101
title: Materials Data on MnPb2WO6 by Materials Project

description: Pb2MnWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.95 Å. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.15 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent WO6 octahedra, and faces with four equivalent MnO6 octahedra. All Pb–O bond lengths are 2.91 Å. O2- is bonded in a distorted linear geometry to one W6+, one Mn2+, and four equivalent Pb2+ atoms.
DOI: 10.17188/1752102
title: Materials Data on Co(CuO2)4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1752103
title: Materials Data on Li9Mn2Co5O16 by Materials Project

description: Li9Mn2Co5O16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and six O2- atoms. There are one shorter (2.18 Å) and one longer (2.21 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 1.98–2.52 Å. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.08–2.41 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and six O2- atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 1.98–2.57 Å. In the fourth Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Co+2.80+ and four O2- atoms. The Li–Co bond length is 2.19 Å. There are a spread of Li–O bond distances ranging from 1.87–2.39 Å. In the fifth Li1+ site, Li1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.18 Å) Li–O bond lengths. Mn+4.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.80–2.04 Å. There are three inequivalent Co+2.80+ sites. In the first Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.92–2.33 Å. In the second Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.91–2.36 Å. In the third Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two equivalent Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.99–2.32 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two Co+2.80+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Mn+4.50+, and two equivalent Co+2.80+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Li1+, one Mn+4.50+, and one Co+2.80+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and three Co+2.80+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Co+2.80+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Li1+ and two Co+2.80+ atoms.
DOI: 10.17188/1752104
title: Materials Data on LaNi5H6 by Materials Project

description: LaNi5H6 crystallizes in the hexagonal P6mm space group. The structure is two-dimensional and consists of one LaNi5H6 sheet oriented in the (0, 0, 1) direction. La is bonded in a 6-coordinate geometry to six equivalent H atoms. All La–H bond lengths are 2.55 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent H atoms. All Ni–H bond lengths are 1.71 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent H atoms. All Ni–H bond lengths are 1.66 Å. H is bonded in a 3-coordinate geometry to one La and three Ni atoms.
DOI: 10.17188/1752105
title: Materials Data on Np2O3 by Materials Project

description: Np2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Np3+ is bonded to six equivalent O2- atoms to form a mixture of distorted face, edge, and corner-sharing NpO6 pentagonal pyramids. There are three shorter (2.32 Å) and three longer (2.39 Å) Np–O bond lengths. O2- is bonded to four equivalent Np3+ atoms to form a mixture of distorted edge and corner-sharing ONp4 trigonal pyramids.
DOI: 10.17188/1752106
title: Materials Data on TaNb2Mo by Materials Project

description: TaNb2Mo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaNb2Mo ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Nb atoms. Both Ta–Nb bond lengths are 2.38 Å. Nb is bonded in a linear geometry to one Ta and one Mo atom. The Nb–Mo bond length is 2.32 Å. Mo is bonded in a linear geometry to two equivalent Nb atoms.
DOI: 10.17188/1752107
title: Materials Data on Zn(SnO2)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: 10.17188/1752109
title: Materials Data on MnFe2Pb2(OF4)3 by Materials Project

description: MnFe2Pb2(OF4)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mn7+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and corners with two equivalent FeF6 octahedra. The corner-sharing octahedra tilt angles range from 2–29°. There are a spread of Mn–F bond distances ranging from 1.89–2.01 Å. Fe+2.50+ is bonded to six F1- atoms to form FeF6 octahedra that share a cornercorner with one MnF6 octahedra and corners with three equivalent FeF6 octahedra. The corner-sharing octahedra tilt angles range from 1–29°. There are a spread of Fe–F bond distances ranging from 1.92–2.01 Å. Pb3+ is bonded in a 9-coordinate geometry to three O2- and six F1- atoms. There are one shorter (2.72 Å) and two longer (2.74 Å) Pb–O bond lengths. There are a spread of Pb–F bond distances ranging from 2.61–2.64 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pb3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pb3+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe+2.50+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Mn7+ and one Fe+2.50+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Mn7+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Fe+2.50+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Mn7+ and two equivalent Pb3+ atoms. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Fe+2.50+ and two equivalent Pb3+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Fe+2.50+ and two equivalent Pb3+ atoms.
DOI: 10.17188/1752110
title: Materials Data on U7Mo by Materials Project

description: U7Mo crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are five inequivalent U sites. In the first U site, U is bonded in a 10-coordinate geometry to six U and two equivalent Mo atoms. There are four shorter (2.98 Å) and two longer (2.99 Å) U–U bond lengths. Both U–Mo bond lengths are 2.96 Å. In the second U site, U is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Mo atoms. All U–U bond lengths are 2.86 Å. All U–Mo bond lengths are 2.98 Å. In the third U site, U is bonded in a distorted q6 geometry to ten U atoms. There are a spread of U–U bond distances ranging from 2.98–3.08 Å. In the fourth U site, U is bonded to ten U and two equivalent Mo atoms to form a mixture of distorted edge, face, and corner-sharing UU10Mo2 cuboctahedra. Both U–U bond lengths are 3.00 Å. Both U–Mo bond lengths are 3.55 Å. In the fifth U site, U is bonded in a distorted q6 geometry to ten U atoms. Both U–U bond lengths are 3.00 Å. Mo is bonded in a distorted body-centered cubic geometry to twelve U atoms.
DOI: 10.17188/1752111
title: Materials Data on LiMnO2 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: 10.17188/1752112
title: Materials Data on NaN3 by Materials Project

description: NaN3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two NaN3 sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted square co-planar geometry to four N+0.33- atoms. There are two shorter (2.39 Å) and two longer (2.75 Å) Na–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent Na1+ atoms. In the second N+0.33- site, N+0.33- is bonded in a bent 120 degrees geometry to one Na1+ and one N+0.33- atom. The N–N bond length is 1.12 Å.
DOI: 10.17188/1752113
title: Materials Data on CuNCl3 by Materials Project

description: (CuCl3)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and two CuCl3 clusters. In each CuCl3 cluster, Cu2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Cu–Cl bond distances ranging from 2.14–2.24 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.
DOI: 10.17188/1752114
title: Materials Data on Li8FeNi9O20 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: 10.17188/1752115
title: Materials Data on CrGeO3 by Materials Project

description: CrGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr2+ is bonded to twelve equivalent O2- atoms to form CrO12 cuboctahedra that share corners with twelve equivalent CrO12 cuboctahedra, faces with six equivalent CrO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Cr–O bond lengths are 2.65 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent CrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.87 Å. O2- is bonded in a distorted linear geometry to four equivalent Cr2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1752116
title: Materials Data on BaEu3 by Materials Project

description: BaEu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to twelve Eu atoms to form BaEu12 cuboctahedra that share corners with six equivalent BaEu12 cuboctahedra, corners with twelve EuBa4Eu8 cuboctahedra, edges with eighteen EuBa4Eu8 cuboctahedra, faces with eight equivalent BaEu12 cuboctahedra, and faces with twelve EuBa4Eu8 cuboctahedra. There are six shorter (4.11 Å) and six longer (4.12 Å) Ba–Eu bond lengths. There are three inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Ba and eight Eu atoms to form distorted EuBa4Eu8 cuboctahedra that share corners with four equivalent BaEu12 cuboctahedra, corners with fourteen equivalent EuBa4Eu8 cuboctahedra, edges with six equivalent BaEu12 cuboctahedra, edges with twelve EuBa4Eu8 cuboctahedra, faces with four equivalent BaEu12 cuboctahedra, and faces with sixteen EuBa4Eu8 cuboctahedra. There are six shorter (4.07 Å) and two longer (4.18 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Ba and eight Eu atoms to form distorted EuBa4Eu8 cuboctahedra that share corners with four equivalent BaEu12 cuboctahedra, corners with fourteen EuBa4Eu8 cuboctahedra, edges with six equivalent BaEu12 cuboctahedra, edges with twelve EuBa4Eu8 cuboctahedra, faces with four equivalent BaEu12 cuboctahedra, and faces with sixteen EuBa4Eu8 cuboctahedra. There are one shorter (4.07 Å) and one longer (4.18 Å) Eu–Eu bond lengths. In the third Eu site, Eu is bonded to four equivalent Ba and eight Eu atoms to form distorted EuBa4Eu8 cuboctahedra that share corners with four equivalent BaEu12 cuboctahedra, corners with fourteen EuBa4Eu8 cuboctahedra, edges with six equivalent BaEu12 cuboctahedra, edges with twelve EuBa4Eu8 cuboctahedra, faces with four equivalent BaEu12 cuboctahedra, and faces with sixteen EuBa4Eu8 cuboctahedra.