cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196918
title: Materials Data on Rb2PbO3 by Materials Project

description: Rb2PbO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.19 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing ORb4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–52°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Pb4+ atom.
DOI: 10.17188/1196919
title: Materials Data on Eu by Materials Project

description: Eu is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Eu atoms to form a mixture of face, edge, and corner-sharing EuEu12 cuboctahedra. There are six shorter (4.01 Å) and six longer (4.05 Å) Eu–Eu bond lengths.
DOI: 10.17188/1196920
title: Materials Data on PrTiGe by Materials Project

description: PrTiGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are four shorter (3.10 Å) and one longer (3.45 Å) Pr–Ge bond lengths. Ti is bonded to four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing TiGe4 tetrahedra. All Ti–Ge bond lengths are 2.73 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Ti atoms.
DOI: 10.17188/1196921
title: Materials Data on CoReB by Materials Project

description: ReCoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Re is bonded in a 5-coordinate geometry to five equivalent B atoms. There are a spread of Re–B bond distances ranging from 2.35–2.40 Å. Co is bonded to four equivalent B atoms to form a mixture of distorted corner and edge-sharing CoB4 tetrahedra. There are a spread of Co–B bond distances ranging from 2.08–2.19 Å. B is bonded in a 9-coordinate geometry to five equivalent Re and four equivalent Co atoms.
DOI: 10.17188/1196922
title: Materials Data on Ca2RuO4 by Materials Project

description: Ca2RuO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.62 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of Ru–O bond distances ranging from 2.01–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to three equivalent Ca2+ and one Ru4+ atom.
DOI: 10.17188/1196924
title: Materials Data on PuIn by Materials Project

description: PuIn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pu is bonded to four equivalent Pu and eight equivalent In atoms to form PuPu4In8 cuboctahedra that share corners with twelve equivalent PuPu4In8 cuboctahedra, edges with eight equivalent PuPu4In8 cuboctahedra, edges with sixteen equivalent InPu8In4 cuboctahedra, faces with eight equivalent InPu8In4 cuboctahedra, and faces with ten equivalent PuPu4In8 cuboctahedra. All Pu–Pu bond lengths are 3.22 Å. All Pu–In bond lengths are 3.36 Å. In is bonded to eight equivalent Pu and four equivalent In atoms to form InPu8In4 cuboctahedra that share corners with twelve equivalent InPu8In4 cuboctahedra, edges with eight equivalent InPu8In4 cuboctahedra, edges with sixteen equivalent PuPu4In8 cuboctahedra, faces with eight equivalent PuPu4In8 cuboctahedra, and faces with ten equivalent InPu8In4 cuboctahedra. All In–In bond lengths are 3.22 Å.
DOI: 10.17188/1196925
title: Materials Data on VCo2Sn by Materials Project

description: Co2VSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sn atoms. All V–Co bond lengths are 2.61 Å. All V–Sn bond lengths are 3.01 Å. Co is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Sn atoms. All Co–Sn bond lengths are 2.61 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent V and eight equivalent Co atoms.
DOI: 10.17188/1196926
title: Materials Data on SrGe by Materials Project

description: SrGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven equivalent Ge atoms. There are a spread of Sr–Ge bond distances ranging from 3.30–3.40 Å. Ge is bonded in a 9-coordinate geometry to seven equivalent Sr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.66 Å.
DOI: 10.17188/1196927
title: Materials Data on LiFeAs by Materials Project

description: LiFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent As3- atoms to form distorted LiAs5 trigonal bipyramids that share corners with twelve equivalent FeAs4 tetrahedra, corners with four equivalent LiAs5 trigonal bipyramids, edges with four equivalent FeAs4 tetrahedra, and edges with eight equivalent LiAs5 trigonal bipyramids. There are one shorter (2.71 Å) and four longer (2.76 Å) Li–As bond lengths. Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra, corners with twelve equivalent LiAs5 trigonal bipyramids, edges with four equivalent FeAs4 tetrahedra, and edges with four equivalent LiAs5 trigonal bipyramids. All Fe–As bond lengths are 2.34 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1196928
title: Materials Data on Gd(NiP)2 by Materials Project

description: GdNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Gd–P bond lengths are 2.99 Å. Ni+1.50+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.28 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Ni+1.50+, and one P3- atom. The P–P bond length is 2.33 Å.
DOI: 10.17188/1196929
title: Materials Data on Eu(MnP)2 by Materials Project

description: EuMn2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent P3- atoms to form EuP6 octahedra that share corners with twelve equivalent MnP4 tetrahedra, edges with six equivalent EuP6 octahedra, and edges with six equivalent MnP4 tetrahedra. All Eu–P bond lengths are 2.95 Å. Mn2+ is bonded to four equivalent P3- atoms to form MnP4 tetrahedra that share corners with six equivalent EuP6 octahedra, corners with six equivalent MnP4 tetrahedra, edges with three equivalent EuP6 octahedra, and edges with three equivalent MnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–48°. There are one shorter (2.21 Å) and three longer (2.26 Å) Mn–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Eu2+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1196930
title: Materials Data on SmInCu2 by Materials Project

description: SmCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Sm–Cu bond lengths are 2.91 Å. All Sm–In bond lengths are 3.36 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent In atoms. All Cu–In bond lengths are 2.91 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sm and eight equivalent Cu atoms.
DOI: 10.17188/1196931
title: Materials Data on Fe2N by Materials Project

description: Fe2N is zeta iron carbide-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Fe is bonded in a 3-coordinate geometry to three equivalent N atoms. There are a spread of Fe–N bond distances ranging from 1.87–1.96 Å. N is bonded to six equivalent Fe atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°.
DOI: 10.17188/1196932
title: Materials Data on RbIn4 by Materials Project

description: RbIn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to sixteen In atoms. There are eight shorter (3.88 Å) and eight longer (4.09 Å) Rb–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to four equivalent Rb and five In atoms. There are one shorter (2.95 Å) and four longer (3.07 Å) In–In bond lengths. In the second In site, In is bonded in a 12-coordinate geometry to four equivalent Rb and four equivalent In atoms.
DOI: 10.17188/1196933
title: Materials Data on U(CuP)2 by Materials Project

description: UCu2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded to six equivalent P3- atoms to form UP6 octahedra that share corners with twelve equivalent CuP4 tetrahedra, edges with six equivalent UP6 octahedra, and edges with six equivalent CuP4 tetrahedra. All U–P bond lengths are 2.77 Å. Cu1+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with six equivalent UP6 octahedra, corners with six equivalent CuP4 tetrahedra, edges with three equivalent UP6 octahedra, and edges with three equivalent CuP4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. There are three shorter (2.35 Å) and one longer (2.40 Å) Cu–P bond lengths. P3- is bonded to three equivalent U4+ and four equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing PU3Cu4 pentagonal bipyramids.
DOI: 10.17188/1196934
title: Materials Data on LaIn5Rh by Materials Project

description: LaRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La is bonded to twelve In atoms to form LaIn12 cuboctahedra that share corners with four equivalent LaIn12 cuboctahedra, faces with four equivalent LaIn12 cuboctahedra, and faces with four equivalent InLa4In8 cuboctahedra. All La–In bond lengths are 3.35 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.80 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent La and eight equivalent In atoms to form distorted InLa4In8 cuboctahedra that share corners with four equivalent InLa4In8 cuboctahedra, faces with four equivalent LaIn12 cuboctahedra, and faces with four equivalent InLa4In8 cuboctahedra. All In–In bond lengths are 3.35 Å. In the second In site, In is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Rh, and two equivalent In atoms.
DOI: 10.17188/1196935
title: Materials Data on Pr3Pb by Materials Project

description: Pr3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All Pr–Pb bond lengths are 3.57 Å. Pb is bonded to twelve equivalent Pr atoms to form a mixture of face and corner-sharing PbPr12 cuboctahedra.
DOI: 10.17188/1196936
title: Materials Data on NpIn3 by Materials Project

description: NpIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to twelve equivalent In atoms to form NpIn12 cuboctahedra that share corners with twelve equivalent NpIn12 cuboctahedra, edges with twenty-four equivalent InNp4In8 cuboctahedra, faces with six equivalent NpIn12 cuboctahedra, and faces with twelve equivalent InNp4In8 cuboctahedra. All Np–In bond lengths are 3.29 Å. In is bonded to four equivalent Np and eight equivalent In atoms to form distorted InNp4In8 cuboctahedra that share corners with twelve equivalent InNp4In8 cuboctahedra, edges with eight equivalent NpIn12 cuboctahedra, edges with sixteen equivalent InNp4In8 cuboctahedra, faces with four equivalent NpIn12 cuboctahedra, and faces with fourteen equivalent InNp4In8 cuboctahedra. All In–In bond lengths are 3.29 Å.
DOI: 10.17188/1196937
title: Materials Data on Nd3In by Materials Project

description: Nd3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent In atoms to form distorted NdNd8In4 cuboctahedra that share corners with twelve equivalent NdNd8In4 cuboctahedra, edges with eight equivalent InNd12 cuboctahedra, edges with sixteen equivalent NdNd8In4 cuboctahedra, faces with four equivalent InNd12 cuboctahedra, and faces with fourteen equivalent NdNd8In4 cuboctahedra. All Nd–Nd bond lengths are 3.53 Å. All Nd–In bond lengths are 3.53 Å. In is bonded to twelve equivalent Nd atoms to form InNd12 cuboctahedra that share corners with twelve equivalent InNd12 cuboctahedra, edges with twenty-four equivalent NdNd8In4 cuboctahedra, faces with six equivalent InNd12 cuboctahedra, and faces with twelve equivalent NdNd8In4 cuboctahedra.
DOI: 10.17188/1196938
title: Materials Data on PuGe3 by Materials Project

description: PuGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Ge atoms to form a mixture of corner and face-sharing PuGe12 cuboctahedra. All Pu–Ge bond lengths are 3.02 Å. Ge is bonded in a distorted square co-planar geometry to four equivalent Pu atoms.
DOI: 10.17188/1196939
title: Materials Data on Tm2In by Materials Project

description: Tm2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to eight Tm and six equivalent In atoms. There are two shorter (3.35 Å) and six longer (3.49 Å) Tm–Tm bond lengths. All Tm–In bond lengths are 3.49 Å. In the second Tm site, Tm is bonded to six equivalent Tm and five equivalent In atoms to form a mixture of distorted corner and face-sharing TmTm6In5 trigonal bipyramids. There are three shorter (3.06 Å) and two longer (3.35 Å) Tm–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Tm atoms.
DOI: 10.17188/1196940
title: Materials Data on EuIn2Rh by Materials Project

description: EuRhIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 1-coordinate geometry to three equivalent Rh and ten equivalent In atoms. There are one shorter (2.98 Å) and two longer (3.17 Å) Eu–Rh bond lengths. There are a spread of Eu–In bond distances ranging from 3.42–3.52 Å. Rh is bonded in a 9-coordinate geometry to three equivalent Eu and six equivalent In atoms. There are four shorter (2.81 Å) and two longer (2.85 Å) Rh–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Eu and three equivalent Rh atoms.
DOI: 10.17188/1196941
title: Materials Data on Rb2PbO3 by Materials Project

description: Rb2PbO3 is Krennerite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.23 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.06–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Pb4+ atom. In the second O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing ORb4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–49°.
DOI: 10.17188/1196942
title: Materials Data on NpIr2 by Materials Project

description: NpIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Np is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Np–Ir bond lengths are 3.10 Å. Ir is bonded to six equivalent Np and six equivalent Ir atoms to form a mixture of edge, face, and corner-sharing IrNp6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.64 Å.
DOI: 10.17188/1196943
title: Materials Data on CeSnPd by Materials Project

description: CePdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.43 Å. There are a spread of Ce–Sn bond distances ranging from 3.25–3.38 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.73–2.95 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.
DOI: 10.17188/1196944
title: Materials Data on Y3GaCo3 by Materials Project

description: Y3Co3Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to seven Co and two equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.03 Å. Both Y–Ga bond lengths are 3.22 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six Co and three equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.86–2.96 Å. There are one shorter (3.19 Å) and two longer (3.22 Å) Y–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to seven Y and two equivalent Co atoms. Both Co–Co bond lengths are 2.29 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six Y, one Co, and two equivalent Ga atoms. Both Co–Ga bond lengths are 2.54 Å. Ga is bonded to eight Y and four equivalent Co atoms to form a mixture of corner, edge, and face-sharing GaY8Co4 cuboctahedra.
DOI: 10.17188/1196945
title: Materials Data on CeInNi by Materials Project

description: CeNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.99 Å) and one longer (3.05 Å) Ce–Ni bond lengths. There are two shorter (3.19 Å) and four longer (3.33 Å) Ce–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Ni–In bond lengths are 2.71 Å. In is bonded in a 12-coordinate geometry to six equivalent Ce and four Ni atoms.
DOI: 10.17188/1196946
title: Materials Data on U2Ga8Ru by Materials Project

description: U2RuGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with eight equivalent UGa12 cuboctahedra, edges with twelve GaU4Ga8 cuboctahedra, faces with five equivalent UGa12 cuboctahedra, and faces with eight GaU4Ga8 cuboctahedra. There are a spread of U–Ga bond distances ranging from 2.97–3.04 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.54 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form distorted GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, edges with eight equivalent UGa12 cuboctahedra, edges with eight equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with twelve GaU4Ga8 cuboctahedra. There are four shorter (3.01 Å) and four longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form GaU4Ga8 cuboctahedra that share corners with eight equivalent GaU4Ga8 cuboctahedra, edges with four equivalent UGa12 cuboctahedra, edges with eight equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with nine GaU4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.97 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ru, and two equivalent Ga atoms.
DOI: 10.17188/1196947
title: Materials Data on UCoSn by Materials Project

description: UCoSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to five Co and six equivalent Sn atoms. There are four shorter (2.93 Å) and one longer (2.95 Å) U–Co bond lengths. There are two shorter (3.09 Å) and four longer (3.27 Å) U–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Sn atoms. All Co–Sn bond lengths are 2.69 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Sn atoms. All Co–Sn bond lengths are 2.69 Å. Sn is bonded in a 12-coordinate geometry to six equivalent U, four Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å.
DOI: 10.17188/1196948
title: Materials Data on CrFeP by Materials Project

description: FeCrP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Cr–P bond distances ranging from 2.37–2.54 Å. Fe is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.18–2.22 Å. P is bonded in a 9-coordinate geometry to five equivalent Cr and four equivalent Fe atoms.