cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1189544
title: Materials Data on SiPt3 by Materials Project

description: Pt3Si crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Pt3Si sheets oriented in the (0, 1, 0) direction. there are three inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a distorted water-like geometry to two equivalent Si4- atoms. There are one shorter (2.37 Å) and one longer (2.54 Å) Pt–Si bond lengths. In the second Pt+1.33+ site, Pt+1.33+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.46 Å. In the third Pt+1.33+ site, Pt+1.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.45 Å. Si4- is bonded in a 6-coordinate geometry to six Pt+1.33+ atoms.
DOI: 10.17188/1189545
title: Materials Data on CaZn2 by Materials Project

description: CaZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Ca–Zn bond distances ranging from 3.17–3.30 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ca and six equivalent Zn atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.75 Å. In the second Zn site, Zn is bonded to six equivalent Ca and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. There are two shorter (2.82 Å) and two longer (2.83 Å) Zn–Zn bond lengths.
DOI: 10.17188/1189546
title: Materials Data on SrZn2 by Materials Project

description: SrZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.29–3.47 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Sr and six equivalent Zn atoms to form a mixture of corner, edge, and face-sharing ZnSr6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.78 Å. In the second Zn site, Zn is bonded to six equivalent Sr and six Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnSr6Zn6 cuboctahedra. There are two shorter (2.80 Å) and two longer (3.14 Å) Zn–Zn bond lengths.
DOI: 10.17188/1189547
title: Materials Data on Ba3CaIr2O9 by Materials Project

description: Ba3CaIr2O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with three equivalent CaO6 octahedra, and faces with five equivalent IrO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.95–3.00 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent CaO6 octahedra, and faces with six equivalent IrO6 octahedra. There are six shorter (2.92 Å) and six longer (2.95 Å) Ba–O bond lengths. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. All Ca–O bond lengths are 2.27 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent CaO6 octahedra, corners with three equivalent IrO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is three shorter (1.94 Å) and three longer (2.05 Å) Ir–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Ca2+, and one Ir5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Ir5+ atoms.
DOI: 10.17188/1189548
title: Materials Data on MoAs2 by Materials Project

description: MoAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo6+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Mo–As bond distances ranging from 2.59–2.75 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to three equivalent Mo6+ and three equivalent As3- atoms. There are one shorter (2.47 Å) and two longer (2.75 Å) As–As bond lengths. In the second As3- site, As3- is bonded in a 8-coordinate geometry to five equivalent Mo6+ and three equivalent As3- atoms. All As–As bond lengths are 2.97 Å.
DOI: 10.17188/1189549
title: Materials Data on LaTmO3 by Materials Project

description: LaTmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are a spread of Tm–O bond distances ranging from 2.22–2.26 Å. La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–3.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and three equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Tm2 tetrahedra.
DOI: 10.17188/1189550
title: Materials Data on SmZnRh by Materials Project

description: SmRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Sm–Rh bond distances ranging from 2.96–2.98 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.66–2.73 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.
DOI: 10.17188/1189551
title: Materials Data on TbZnRh by Materials Project

description: TbRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are three shorter (2.93 Å) and two longer (2.94 Å) Tb–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.65–2.70 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.
DOI: 10.17188/1189552
title: Materials Data on DyZnRh by Materials Project

description: DyRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are three shorter (2.92 Å) and two longer (2.93 Å) Dy–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.64–2.70 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.
DOI: 10.17188/1189553
title: Materials Data on HoZnRh by Materials Project

description: HoRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Ho–Rh bond distances ranging from 2.90–2.93 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.64–2.69 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.
DOI: 10.17188/1189554
title: Materials Data on CeZnPd by Materials Project

description: CePdZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent Zn atoms. There are one shorter (2.91 Å) and four longer (3.08 Å) Ce–Pd bond lengths. There are a spread of Ce–Zn bond distances ranging from 3.11–3.37 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.70–2.74 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.
DOI: 10.17188/1189555
title: Materials Data on CeZnPd by Materials Project

description: CePdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (2.99 Å) and one longer (3.02 Å) Ce–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.30 Å) Ce–Zn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.68 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.84 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Ce and four Pd atoms.
DOI: 10.17188/1189556
title: Materials Data on ScAg(PSe3)2 by Materials Project

description: ScAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ScAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Sc–Se bond lengths are 2.73 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent ScSe6 octahedra. All Ag–Se bond lengths are 2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a 3-coordinate geometry to one Sc3+, one Ag1+, and one P4+ atom.
DOI: 10.17188/1189557
title: Materials Data on ErAg(PSe3)2 by Materials Project

description: ErAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ErAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Er–Se bond lengths are 2.86 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent ErSe6 octahedra. All Ag–Se bond lengths are 2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.21 Å. Se2- is bonded in a 3-coordinate geometry to one Er3+, one Ag1+, and one P4+ atom.
DOI: 10.17188/1189558
title: Materials Data on TmAg(PSe3)2 by Materials Project

description: TmAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two TmAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded to six equivalent Se2- atoms to form TmSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Tm–Se bond lengths are 2.85 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent TmSe6 octahedra. All Ag–Se bond lengths are 2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.21 Å. Se2- is bonded in a 3-coordinate geometry to one Tm3+, one Ag1+, and one P4+ atom.
DOI: 10.17188/1189559
title: Materials Data on NbIr3 by Materials Project

description: Ir3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ir atoms to form NbIr12 cuboctahedra that share corners with twelve equivalent NbIr12 cuboctahedra, edges with twenty-four equivalent IrNb4Ir8 cuboctahedra, faces with six equivalent NbIr12 cuboctahedra, and faces with twelve equivalent IrNb4Ir8 cuboctahedra. All Nb–Ir bond lengths are 2.78 Å. Ir is bonded to four equivalent Nb and eight equivalent Ir atoms to form distorted IrNb4Ir8 cuboctahedra that share corners with twelve equivalent IrNb4Ir8 cuboctahedra, edges with eight equivalent NbIr12 cuboctahedra, edges with sixteen equivalent IrNb4Ir8 cuboctahedra, faces with four equivalent NbIr12 cuboctahedra, and faces with fourteen equivalent IrNb4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.78 Å.
DOI: 10.17188/1189560
title: Materials Data on NdCu by Materials Project

description: NdCu crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Cu atoms. There are a spread of Nd–Cu bond distances ranging from 2.95–3.12 Å. Cu is bonded in a 9-coordinate geometry to seven equivalent Nd and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.68 Å.
DOI: 10.17188/1189561
title: Materials Data on LiIn2Rh by Materials Project

description: LiRhIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Rh and eight equivalent In atoms. All Li–Rh bond lengths are 3.27 Å. All Li–In bond lengths are 2.83 Å. Rh is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent In atoms. All Rh–In bond lengths are 2.83 Å. In is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.
DOI: 10.17188/1189562
title: Materials Data on Yb(MnSi)2 by Materials Project

description: YbMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Yb–Si bond lengths are 3.06 Å. Mn+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.36 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.55 Å.
DOI: 10.17188/1189563
title: Materials Data on Lu(NiGe)2 by Materials Project

description: Lu(NiGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Lu–Ni bond lengths are 3.16 Å. All Lu–Ge bond lengths are 3.10 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.47 Å.
DOI: 10.17188/1189564
title: Materials Data on Al by Materials Project

description: Al is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Al is bonded to twelve equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlAl12 cuboctahedra. All Al–Al bond lengths are 2.86 Å.
DOI: 10.17188/1189565
title: Materials Data on Ga2Se3 by Materials Project

description: Ga2Se3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.38–2.51 Å. In the second Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.37–2.50 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.
DOI: 10.17188/1189566
title: Materials Data on Sm(CuGe)2 by Materials Project

description: SmCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Sm–Cu bond lengths are 3.30 Å. All Sm–Ge bond lengths are 3.16 Å. Cu is bonded to four equivalent Sm and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing CuSm4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.50 Å.
DOI: 10.17188/1189567
title: Materials Data on Yb(CuGe)2 by Materials Project

description: YbCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Yb–Cu bond lengths are 3.27 Å. All Yb–Ge bond lengths are 3.15 Å. Cu is bonded in a 4-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.46 Å.
DOI: 10.17188/1189568
title: Materials Data on Lu(MnGe)2 by Materials Project

description: Lu(MnGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Lu–Ge bond lengths are 3.03 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.42 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1189569
title: Materials Data on LaAgPb by Materials Project

description: LaAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.26 Å) and three longer (3.74 Å) La–Ag bond lengths. There are three shorter (3.34 Å) and three longer (3.63 Å) La–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Pb atoms. There are three shorter (2.94 Å) and one longer (3.27 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Ag atoms.
DOI: 10.17188/1189570
title: Materials Data on CeAgPb by Materials Project

description: CeAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.22 Å) and three longer (3.67 Å) Ce–Ag bond lengths. There are three shorter (3.31 Å) and three longer (3.55 Å) Ce–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pb atoms. There are three shorter (2.92 Å) and one longer (3.18 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ag atoms.
DOI: 10.17188/1189571
title: Materials Data on Te2Rh3 by Materials Project

description: Rh3Te2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five Te atoms. There are one shorter (2.66 Å) and four longer (2.75 Å) Rh–Te bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Te atoms. There are three shorter (2.66 Å) and two longer (2.80 Å) Rh–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a body-centered cubic geometry to eight Rh atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Rh atoms.
DOI: 10.17188/1189572
title: Materials Data on Y3Fe29 by Materials Project

description: Y3Fe29 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twenty Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.23 Å. In the second Y site, Y is bonded in a 11-coordinate geometry to nineteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.29 Å. There are eleven inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with eighteen FeY2Fe10 cuboctahedra, edges with eight FeY3Fe9 cuboctahedra, and faces with fourteen FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.36–2.58 Å. In the second Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form a mixture of corner, edge, and face-sharing FeY2Fe10 cuboctahedra. There are eight shorter (2.44 Å) and two longer (2.60 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.89 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.57–2.91 Å. In the fifth Fe site, Fe is bonded to two Y and ten Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.39–2.68 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.60 Å. In the seventh Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.40–2.60 Å. In the eighth Fe site, Fe is bonded to two Y and ten Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe10 cuboctahedra. Both Fe–Fe bond lengths are 2.42 Å. In the ninth Fe site, Fe is bonded to two Y and ten Fe atoms to form a mixture of corner, edge, and face-sharing FeY2Fe10 cuboctahedra. There are one shorter (2.43 Å) and one longer (2.46 Å) Fe–Fe bond lengths. In the tenth Fe site, Fe is bonded to three Y and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.46 Å. In the eleventh Fe site, Fe is bonded to three equivalent Y and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Fe9 cuboctahedra. The Fe–Fe bond length is 2.45 Å.