cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1715506
title: Materials Data on Nb3MoSe8 by Materials Project

description: NbMoSe4(NbSe2)2 is Molybdenite-derived structured and crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one NbMoSe4 sheet oriented in the (0, 0, 1) direction and one NbSe2 sheet oriented in the (0, 0, 1) direction. In the NbMoSe4 sheet, Nb+4.67+ is bonded to six Se2- atoms to form distorted NbSe6 pentagonal pyramids that share edges with two equivalent NbSe6 pentagonal pyramids and edges with four equivalent MoSe6 pentagonal pyramids. There are four shorter (2.61 Å) and two longer (2.63 Å) Nb–Se bond lengths. Mo2+ is bonded to six Se2- atoms to form distorted MoSe6 pentagonal pyramids that share edges with two equivalent MoSe6 pentagonal pyramids and edges with four equivalent NbSe6 pentagonal pyramids. There are two shorter (2.57 Å) and four longer (2.58 Å) Mo–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one Nb+4.67+ and two equivalent Mo2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Nb+4.67+ and one Mo2+ atom. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Nb+4.67+ and one Mo2+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to one Nb+4.67+ and two equivalent Mo2+ atoms. In the NbSe2 sheet, there are two inequivalent Nb+4.67+ sites. In the first Nb+4.67+ site, Nb+4.67+ is bonded to six Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. There are four shorter (2.62 Å) and two longer (2.63 Å) Nb–Se bond lengths. In the second Nb+4.67+ site, Nb+4.67+ is bonded to six Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. There are four shorter (2.62 Å) and two longer (2.63 Å) Nb–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Nb+4.67+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Nb+4.67+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Nb+4.67+ atoms. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Nb+4.67+ atoms.
DOI: 10.17188/1715507
title: Materials Data on Sr2ZnMoO6 by Materials Project

description: Sr2ZnMoO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MoO6 octahedra, and faces with four equivalent ZnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.64–3.08 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–18°. All Mo–O bond lengths are 1.94 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–18°. All Zn–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mo6+, and one Zn2+ atom.
DOI: 10.17188/1715508
title: Materials Data on LiMn(PO3)3 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: 10.17188/1715509
title: Materials Data on Ca2GaPt2 by Materials Project

description: Ca2Pt2Ga crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Pt and four equivalent Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.06–3.13 Å. There are a spread of Ca–Ga bond distances ranging from 3.34–3.45 Å. Pt is bonded in a 2-coordinate geometry to six equivalent Ca and two equivalent Ga atoms. There are one shorter (2.56 Å) and one longer (2.59 Å) Pt–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to eight equivalent Ca and four equivalent Pt atoms.
DOI: 10.17188/1715510
title: Materials Data on V4Ge13O36 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: 10.17188/1715512
title: Materials Data on AlInO3 by Materials Project

description: InAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. In3+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All In–O bond lengths are 2.63 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent In3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1715525
title: Materials Data on HfNbB2 by Materials Project

description: HfNbB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Hf4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Hf–B bond distances ranging from 2.49–2.67 Å. Nb2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Nb–B bond distances ranging from 2.43–2.81 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Hf4+, four equivalent Nb2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.87 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Hf4+, three equivalent Nb2+, and two equivalent B3- atoms.
DOI: 10.17188/1715526
title: Materials Data on K2Th(MoO4)3 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: 10.17188/1715527
title: Materials Data on TaNiAs by Materials Project

description: TaNiAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to five equivalent Ni and five equivalent As atoms. There are a spread of Ta–Ni bond distances ranging from 2.83–2.90 Å. There are a spread of Ta–As bond distances ranging from 2.67–2.72 Å. Ni is bonded in a 4-coordinate geometry to five equivalent Ta and four equivalent As atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Ni–As bond lengths. As is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Ni atoms.
DOI: 10.17188/1715528
title: Materials Data on Li5V3P8O29 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: 10.17188/1715529
title: Materials Data on Eu3(SF2)2 by Materials Project

description: Eu3F4S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Eu–F bond lengths are 2.42 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are one shorter (2.84 Å) and four longer (2.92 Å) Eu–S bond lengths. All Eu–F bond lengths are 2.62 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Eu+2.67+ atoms. F1- is bonded to four Eu+2.67+ atoms to form a mixture of distorted edge and corner-sharing FEu4 tetrahedra.
DOI: 10.17188/1715530
title: Materials Data on NdSbMo2O9 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: 10.17188/1715531
title: Materials Data on Tl5NO5 by Materials Project

description: Tl5NO5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Tl5NO5 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Tl–O bond lengths are 2.38 Å. In the second Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.53 Å) and one longer (2.73 Å) Tl–O bond lengths. In the third Tl1+ site, Tl1+ is bonded in a water-like geometry to two equivalent O2- atoms. There are one shorter (2.41 Å) and one longer (2.45 Å) Tl–O bond lengths. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.44 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one N5+ and one O2- atom. The O–O bond length is 1.40 Å. In the second O2- site, O2- is bonded to four Tl1+ atoms to form corner-sharing OTl4 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one O2- atom.
DOI: 10.17188/1715532
title: Materials Data on RuF3 by Materials Project

description: RuF3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two RuF3 ribbons oriented in the (0, 0, 1) direction. Ru3+ is bonded in a distorted square co-planar geometry to four F1- atoms. There is two shorter (1.90 Å) and two longer (2.05 Å) Ru–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru3+ atom. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent Ru3+ atoms.
DOI: 10.17188/1715535
title: Materials Data on KLiDyF5 by Materials Project

description: KLiDyF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.17 Å. Li1+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.88–2.65 Å. Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.22–2.35 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+, two equivalent Li1+, and one Dy3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Li1+, and two equivalent Dy3+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Dy3+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one K1+, one Li1+, and two equivalent Dy3+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+, one Li1+, and one Dy3+ atom.
DOI: 10.17188/1715536
title: Materials Data on Sr2PtN2 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: 10.17188/1715537
title: Materials Data on Eu(GePt)2 by Materials Project

description: Eu(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Eu–Pt bond distances ranging from 3.32–3.43 Å. There are a spread of Eu–Ge bond distances ranging from 3.30–3.41 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Eu and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.49–2.56 Å. In the second Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Eu and five Pt atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Pt atoms.
DOI: 10.17188/1715538
title: Materials Data on Ca2Al2FeSi3HO13 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: 10.17188/1715539
title: Materials Data on TlAu3 by Materials Project

description: Au3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au+0.33- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Au–Tl bond lengths are 3.06 Å. Tl1+ is bonded to twelve equivalent Au+0.33- atoms to form a mixture of corner and face-sharing TlAu12 cuboctahedra.
DOI: 10.17188/1715540
title: Materials Data on BaTbAgS3 by Materials Project

description: BaTbAgS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to seven S2- atoms to form distorted BaS7 pentagonal bipyramids that share corners with four equivalent TbS6 octahedra, corners with two equivalent BaS7 pentagonal bipyramids, a cornercorner with one AgS5 trigonal bipyramid, edges with four equivalent TbS6 octahedra, edges with three equivalent BaS7 pentagonal bipyramids, edges with four equivalent AgS5 trigonal bipyramids, and faces with two equivalent BaS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 18–19°. There are a spread of Ba–S bond distances ranging from 3.10–3.28 Å. Tb3+ is bonded to six S2- atoms to form TbS6 octahedra that share a cornercorner with one TbS6 octahedra, corners with four equivalent BaS7 pentagonal bipyramids, a cornercorner with one AgS5 trigonal bipyramid, edges with four equivalent TbS6 octahedra, edges with four equivalent BaS7 pentagonal bipyramids, and edges with four equivalent AgS5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Tb–S bond distances ranging from 2.77–2.83 Å. Ag1+ is bonded to five S2- atoms to form distorted AgS5 trigonal bipyramids that share a cornercorner with one TbS6 octahedra, a cornercorner with one BaS7 pentagonal bipyramid, corners with five equivalent AgS5 trigonal bipyramids, edges with four equivalent TbS6 octahedra, edges with four equivalent BaS7 pentagonal bipyramids, and an edgeedge with one AgS5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 3°. There are a spread of Ag–S bond distances ranging from 2.60–3.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+, three equivalent Tb3+, and one Ag1+ atom to form distorted SBa2Tb3Ag octahedra that share corners with eight SBa4Ag2 octahedra, edges with ten STb2Ag4 octahedra, and a faceface with one SBa4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 5–54°. In the second S2- site, S2- is bonded to three equivalent Ba2+, two equivalent Tb3+, and one Ag1+ atom to form distorted SBa3Tb2Ag octahedra that share corners with nine SBa4Ag2 octahedra, edges with ten STb2Ag4 octahedra, and a faceface with one SBa4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 5–56°. In the third S2- site, S2- is bonded to four equivalent Ba2+ and two equivalent Ag1+ atoms to form SBa4Ag2 octahedra that share corners with sixteen STb2Ag4 octahedra, edges with two equivalent SBa4Ag2 octahedra, and faces with four SBa2Tb3Ag octahedra. The corner-sharing octahedra tilt angles range from 42–56°. In the fourth S2- site, S2- is bonded to two equivalent Tb3+ and four equivalent Ag1+ atoms to form STb2Ag4 octahedra that share corners with six SBa4Ag2 octahedra and edges with ten STb2Ag4 octahedra. The corner-sharing octahedra tilt angles range from 6–51°.
DOI: 10.17188/1715541
title: Materials Data on U2Al6Pd3Pt by Materials Project

description: U2PtPd3Al6 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a distorted hexagonal planar geometry to one Pt and five Pd atoms. The U–Pt bond length is 3.09 Å. There are two shorter (3.09 Å) and three longer (3.10 Å) U–Pd bond lengths. In the second U site, U is bonded in a distorted hexagonal planar geometry to two equivalent Pt and four Pd atoms. Both U–Pt bond lengths are 3.10 Å. There are one shorter (3.10 Å) and three longer (3.11 Å) U–Pd bond lengths. Pt is bonded in a 12-coordinate geometry to three U and six Al atoms. All Pt–Al bond lengths are 2.62 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three U and six Al atoms. All Pd–Al bond lengths are 2.62 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three U and six Al atoms. There are two shorter (2.61 Å) and four longer (2.63 Å) Pd–Al bond lengths. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three U and six Al atoms. There are four shorter (2.62 Å) and two longer (2.63 Å) Pd–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Pt and two equivalent Pd atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to four Pd atoms. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Pt and two equivalent Pd atoms. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Pd atoms.
DOI: 10.17188/1715542
title: Materials Data on TlMo6(SeS)4 by Materials Project

description: Mo6Tl(SeS)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mo+2.50+ sites. In the first Mo+2.50+ site, Mo+2.50+ is bonded to three Se2- and two S2- atoms to form a mixture of corner and edge-sharing MoSe3S2 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.57–2.68 Å. There are one shorter (2.38 Å) and one longer (2.47 Å) Mo–S bond lengths. In the second Mo+2.50+ site, Mo+2.50+ is bonded to three Se2- and two S2- atoms to form a mixture of corner and edge-sharing MoSe3S2 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.59–2.74 Å. There are one shorter (2.42 Å) and one longer (2.50 Å) Mo–S bond lengths. In the third Mo+2.50+ site, Mo+2.50+ is bonded to two Se2- and three S2- atoms to form a mixture of corner and edge-sharing MoSe2S3 square pyramids. There are one shorter (2.59 Å) and one longer (2.68 Å) Mo–Se bond lengths. There are a spread of Mo–S bond distances ranging from 2.40–2.48 Å. In the fourth Mo+2.50+ site, Mo+2.50+ is bonded to two Se2- and three S2- atoms to form a mixture of corner and edge-sharing MoSe2S3 square pyramids. There are one shorter (2.60 Å) and one longer (2.64 Å) Mo–Se bond lengths. There are a spread of Mo–S bond distances ranging from 2.38–2.64 Å. In the fifth Mo+2.50+ site, Mo+2.50+ is bonded to three Se2- and two S2- atoms to form a mixture of corner and edge-sharing MoSe3S2 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.61–2.74 Å. There are one shorter (2.43 Å) and one longer (2.51 Å) Mo–S bond lengths. In the sixth Mo+2.50+ site, Mo+2.50+ is bonded to three Se2- and two S2- atoms to form a mixture of corner and edge-sharing MoSe3S2 square pyramids. There are two shorter (2.60 Å) and one longer (2.64 Å) Mo–Se bond lengths. There are one shorter (2.40 Å) and one longer (2.62 Å) Mo–S bond lengths. Tl1+ is bonded in a body-centered cubic geometry to four Se2- and four S2- atoms. There are a spread of Tl–Se bond distances ranging from 3.25–3.39 Å. There are a spread of Tl–S bond distances ranging from 2.97–3.39 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Mo+2.50+ and one Tl1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four Mo+2.50+ and one Tl1+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Mo+2.50+ and one Tl1+ atom. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Mo+2.50+ and one Tl1+ atom. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Mo+2.50+ and one Tl1+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Mo+2.50+ and one Tl1+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Mo+2.50+ and one Tl1+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Mo+2.50+ and one Tl1+ atom.
DOI: 10.17188/1715543
title: Materials Data on Ce5Ge2Ir by Materials Project

description: Ce5IrGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to one Ir and four equivalent Ge atoms. The Ce–Ir bond length is 2.89 Å. There are two shorter (3.10 Å) and two longer (3.14 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded to one Ir and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CeGe4Ir trigonal bipyramids. The Ce–Ir bond length is 2.88 Å. There are two shorter (3.13 Å) and two longer (3.18 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded to one Ir and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CeGe4Ir square pyramids. The Ce–Ir bond length is 3.09 Å. There are two shorter (3.04 Å) and two longer (3.05 Å) Ce–Ge bond lengths. In the fourth Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ir and three equivalent Ge atoms. There are one shorter (2.79 Å) and one longer (3.01 Å) Ce–Ir bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.18–3.57 Å. Ir is bonded in a 7-coordinate geometry to seven Ce atoms. Ge is bonded in a 9-coordinate geometry to nine Ce atoms.