cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196081
title: Materials Data on CeZnSn by Materials Project

description: CeZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Ce–Zn bond lengths are 3.08 Å. All Ce–Sn bond lengths are 3.45 Å. In the second Ce site, Ce is bonded to six equivalent Sn atoms to form distorted edge-sharing CeSn6 octahedra. All Ce–Sn bond lengths are 3.28 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Ce and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.73 Å. Sn is bonded in a 9-coordinate geometry to six Ce and three equivalent Zn atoms.
DOI: 10.17188/1196082
title: Materials Data on VSn2 by Materials Project

description: VSn2 is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. V is bonded in a 10-coordinate geometry to two equivalent V and eight Sn atoms. Both V–V bond lengths are 2.75 Å. There are a spread of V–Sn bond distances ranging from 2.80–2.88 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent V atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent V atoms.
DOI: 10.17188/1196083
title: Materials Data on TmGeRu by Materials Project

description: TmRuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 9-coordinate geometry to four equivalent Ru and six equivalent Ge atoms. There are a spread of Tm–Ru bond distances ranging from 2.92–3.00 Å. There are a spread of Tm–Ge bond distances ranging from 3.01–3.30 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Tm and four equivalent Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.53–2.58 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ru atoms.
DOI: 10.5517/ccdc.csd.cc26k3gc
title: CCDC 2042232: Experimental Crystal Structure Determination

description: Related Article: Guoshuai Zhang, Guihong Wu, Hong Zhang, Guannan Wang, Haitao Han|2021|J.Solid State Chem.|295|121924|doi:10.1016/j.jssc.2020.121924
DOI: 10.17188/1196084
title: Materials Data on HfSnPt by Materials Project

description: HfPtSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Sn atoms. All Hf–Pt bond lengths are 2.82 Å. All Hf–Sn bond lengths are 2.82 Å. Pt is bonded to four equivalent Hf and six equivalent Sn atoms to form distorted PtHf4Sn6 tetrahedra that share corners with four equivalent SnHf4Pt6 tetrahedra, corners with six equivalent PtHf4Sn6 tetrahedra, edges with six equivalent SnHf4Pt6 tetrahedra, and faces with twelve equivalent PtHf4Sn6 tetrahedra. All Pt–Sn bond lengths are 3.26 Å. Sn is bonded to four equivalent Hf and six equivalent Pt atoms to form distorted SnHf4Pt6 tetrahedra that share corners with four equivalent PtHf4Sn6 tetrahedra, corners with six equivalent SnHf4Pt6 tetrahedra, edges with six equivalent PtHf4Sn6 tetrahedra, and faces with twelve equivalent SnHf4Pt6 tetrahedra.
DOI: 10.5517/ccdc.csd.cc26k9gk
title: CCDC 2042418: Experimental Crystal Structure Determination

description: Related Article: Hadi Kargar, Amir Adabi Ardakani, Muhammad Nawaz Tahir, Muhammad Ashfaq, Khurram Shahzad Munawar|2021|J.Mol.Struct.|1229|129842|doi:10.1016/j.molstruc.2020.129842
DOI: 10.5517/ccdc.csd.cc26k9hl
title: CCDC 2042419: Experimental Crystal Structure Determination

description: Related Article: Hadi Kargar, Amir Adabi Ardakani, Muhammad Nawaz Tahir, Muhammad Ashfaq, Khurram Shahzad Munawar|2021|J.Mol.Struct.|1229|129842|doi:10.1016/j.molstruc.2020.129842
DOI: 10.5517/ccdc.csd.cc26k9jm
title: CCDC 2042420: Experimental Crystal Structure Determination

description: Related Article: Hadi Kargar, Amir Adabi Ardakani, Muhammad Nawaz Tahir, Muhammad Ashfaq, Khurram Shahzad Munawar|2021|J.Mol.Struct.|1229|129842|doi:10.1016/j.molstruc.2020.129842
DOI: 10.17188/1196085
title: Materials Data on ZrTe3 by Materials Project

description: ZrTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one ZrTe3 sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 8-coordinate geometry to eight Te+1.33- atoms. There are a spread of Zr–Te bond distances ranging from 2.96–3.20 Å. There are three inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms. In the second Te+1.33- site, Te+1.33- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms. In the third Te+1.33- site, Te+1.33- is bonded in a 4-coordinate geometry to four equivalent Zr4+ atoms.
DOI: 10.17188/1196086
title: Materials Data on Eu(FeAs)2 by Materials Project

description: EuFe2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Eu–As bond lengths are 3.19 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.31 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Eu2+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1196087
title: Materials Data on ZrFeP by Materials Project

description: ZrFeP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Zr–Fe bond distances ranging from 2.79–2.99 Å. There are a spread of Zr–P bond distances ranging from 2.69–2.72 Å. Fe is bonded in a 4-coordinate geometry to six equivalent Zr and four equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.29–2.47 Å. P is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Fe atoms.
DOI: 10.17188/1196088
title: Materials Data on GeO2 by Materials Project

description: GeO2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ge4+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.03 Å) and two longer (2.11 Å) Ge–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent Ge4+ and one O2- atom. The O–O bond length is 1.54 Å.
DOI: 10.17188/1196089
title: Materials Data on NpAs by Materials Project

description: NpAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Np–As bond lengths are 3.03 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Np3+ atoms.
DOI: 10.5517/ccdc.csd.cc24z8gw
title: CCDC 1995298: Experimental Crystal Structure Determination

description: Related Article: Imre Gyűjtő, Márta Porcs-Makkay, Gergő Szabó, Zsolt Kelemen, Gyöngyvér Pusztai, Gábor Tóth, András Dancsó, Judit Halász, Gyula Simig, Balázs Volk, László Nyulászi|2020|J.Org.Chem.|86|1685|doi:10.1021/acs.joc.0c02512
DOI: 10.17188/1196090
title: Materials Data on TmInNi4 by Materials Project

description: TmNi4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent In atoms. All Tm–Ni bond lengths are 2.90 Å. All Tm–In bond lengths are 3.03 Å. Ni is bonded to three equivalent Tm, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiTm3In3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.49 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.90 Å. In is bonded in a 4-coordinate geometry to four equivalent Tm and twelve equivalent Ni atoms.
DOI: 10.5517/ccdc.csd.cc24z8hx
title: CCDC 1995299: Experimental Crystal Structure Determination

description: Related Article: Imre Gyűjtő, Márta Porcs-Makkay, Gergő Szabó, Zsolt Kelemen, Gyöngyvér Pusztai, Gábor Tóth, András Dancsó, Judit Halász, Gyula Simig, Balázs Volk, László Nyulászi|2020|J.Org.Chem.|86|1685|doi:10.1021/acs.joc.0c02512
DOI: 10.17188/1196091
title: Materials Data on Ba4Y2Cu6O13 by Materials Project

description: Ba4Y2Cu6O13 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.03 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 2.41–2.43 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.94–2.52 Å. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.95–2.41 Å. In the third Cu2+ site, Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.79 Å. In the fourth Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.95 Å) Cu–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+ and two Cu2+ atoms to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. In the second O2- site, O2- is bonded to four equivalent Ba2+ and two Cu2+ atoms to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu2+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two Cu2+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1196092
title: Materials Data on DyInAg2 by Materials Project

description: DyAg2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. All Dy–Ag bond lengths are 3.04 Å. All Dy–In bond lengths are 3.51 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent In atoms. All Ag–In bond lengths are 3.04 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Dy and eight equivalent Ag atoms.
DOI: 10.17188/1196093
title: Materials Data on UGa3Pd2 by Materials Project

description: UPd2Ga3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. All U–Pd bond lengths are 3.08 Å. Pd is bonded in a 12-coordinate geometry to three equivalent U and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.65 Å. Ga is bonded in a 12-coordinate geometry to four equivalent Pd atoms.
DOI: 10.17188/1196094
title: Materials Data on Er2Se3 by Materials Project

description: Er2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are four shorter (2.84 Å) and two longer (2.87 Å) Er–Se bond lengths. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ErSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Er–Se bond distances ranging from 2.83–2.87 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms.
DOI: 10.17188/1196096
title: Materials Data on Cu3Sb by Materials Project

description: Cu3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.76 Å) and two longer (2.83 Å) Cu–Sb bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. There are a spread of Cu–Sb bond distances ranging from 2.75–2.89 Å. Sb3- is bonded to twelve Cu1+ atoms to form a mixture of face, edge, and corner-sharing SbCu12 cuboctahedra.
DOI: 10.17188/1196098
title: Materials Data on InAg(PSe3)2 by Materials Project

description: AgIn(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgIn(PSe3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent InSe6 octahedra. All Ag–Se bond lengths are 2.91 Å. In1+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All In–Se bond lengths are 2.81 Å. P5+ 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 Ag1+, one In1+, and one P5+ atom.
DOI: 10.17188/1196099
title: Materials Data on PrIn3 by Materials Project

description: PrIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent In atoms to form PrIn12 cuboctahedra that share corners with twelve equivalent PrIn12 cuboctahedra, edges with twenty-four equivalent InPr4In8 cuboctahedra, faces with six equivalent PrIn12 cuboctahedra, and faces with twelve equivalent InPr4In8 cuboctahedra. All Pr–In bond lengths are 3.36 Å. In is bonded to four equivalent Pr and eight equivalent In atoms to form distorted InPr4In8 cuboctahedra that share corners with twelve equivalent InPr4In8 cuboctahedra, edges with eight equivalent PrIn12 cuboctahedra, edges with sixteen equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with fourteen equivalent InPr4In8 cuboctahedra. All In–In bond lengths are 3.36 Å.
DOI: 10.17188/1196100
title: Materials Data on OsS2 by Materials Project

description: SSOs is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Os4+ is bonded to six equivalent S2- atoms to form OsS6 octahedra that share corners with twelve equivalent OsS6 octahedra and corners with six equivalent SOs3S tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Os–S bond lengths are 2.37 Å. S2- is bonded to three equivalent Os4+ and one S2- atom to form distorted SOs3S tetrahedra that share corners with three equivalent OsS6 octahedra and corners with fifteen equivalent SOs3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. The S–S bond length is 2.28 Å.
DOI: 10.17188/1196101
title: Materials Data on HoCoC by Materials Project

description: HoCoC crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Ho3+ is bonded to four equivalent C4- atoms to form a mixture of distorted edge and corner-sharing HoC4 tetrahedra. All Ho–C bond lengths are 2.49 Å. Co1+ is bonded in a linear geometry to two equivalent C4- atoms. Both Co–C bond lengths are 1.81 Å. C4- is bonded to four equivalent Ho3+ and two equivalent Co1+ atoms to form a mixture of edge and corner-sharing CHo4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.
DOI: 10.17188/1196102
title: Materials Data on La2InRh2 by Materials Project

description: La2Rh2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent In atoms. There are two shorter (2.92 Å) and four longer (3.10 Å) La–Rh bond lengths. All La–In bond lengths are 3.49 Å. Rh is bonded in a 2-coordinate geometry to six equivalent La, one Rh, and two equivalent In atoms. The Rh–Rh bond length is 2.91 Å. Both Rh–In bond lengths are 3.01 Å. In is bonded to eight equivalent La and four equivalent Rh atoms to form a mixture of corner and face-sharing InLa8Rh4 cuboctahedra.
DOI: 10.5517/ccdc.csd.cc26r47c
title: CCDC 2048022: Experimental Crystal Structure Determination

description: Related Article: Dan Liu, Jing Sun, Ju Xie, Huizhong Shi, Chao-Guo Yan|2021|J.Org.Chem.|86|1827|doi:10.1021/acs.joc.0c02645
DOI: 10.17188/1196103
title: Materials Data on Ce(BC)2 by Materials Project

description: CeB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Ce–C bond lengths are 2.76 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.53 Å) and two longer (1.61 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Ce4+ and three equivalent B atoms.
DOI: 10.17188/1196104
title: Materials Data on La3In by Materials Project

description: La3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to eight equivalent La and four equivalent In atoms to form distorted LaLa8In4 cuboctahedra that share corners with twelve equivalent LaLa8In4 cuboctahedra, edges with eight equivalent InLa12 cuboctahedra, edges with sixteen equivalent LaLa8In4 cuboctahedra, faces with four equivalent InLa12 cuboctahedra, and faces with fourteen equivalent LaLa8In4 cuboctahedra. All La–La bond lengths are 3.59 Å. All La–In bond lengths are 3.59 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, edges with twenty-four equivalent LaLa8In4 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with twelve equivalent LaLa8In4 cuboctahedra.
DOI: 10.17188/1196105
title: Materials Data on V3B2 by Materials Project

description: V3B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All V–B bond lengths are 2.32 Å. In the second V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are four shorter (2.27 Å) and two longer (2.28 Å) V–B bond lengths. B3- is bonded in a 9-coordinate geometry to eight V2+ and one B3- atom. The B–B bond length is 1.79 Å.
DOI: 10.17188/1196106
title: Materials Data on LaGe3Ir by Materials Project

description: LaIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. There are one shorter (3.47 Å) and four longer (3.56 Å) La–Ir bond lengths. There are a spread of La–Ge bond distances ranging from 3.27–3.49 Å. Ir is bonded in a 5-coordinate geometry to five equivalent La and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.48 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.76 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent La, one Ir, and four equivalent Ge atoms.
DOI: 10.17188/1196107
title: Materials Data on LaIn5Ir by Materials Project

description: LaIrIn5 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. There are eight shorter (3.34 Å) and four longer (3.36 Å) La–In bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.80 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.34 Å. In the second 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.
DOI: 10.17188/1196108
title: Materials Data on UGeS by Materials Project

description: UGeS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to four equivalent Ge and five equivalent S atoms. All U–Ge bond lengths are 3.11 Å. There are four shorter (2.74 Å) and one longer (2.78 Å) U–S bond lengths. Ge is bonded to four equivalent U and four equivalent Ge atoms to form distorted GeU4Ge4 hexagonal bipyramids that share corners with four equivalent GeU4Ge4 hexagonal bipyramids, corners with twelve equivalent SU5 square pyramids, edges with four equivalent GeU4Ge4 hexagonal bipyramids, edges with four equivalent SU5 square pyramids, and faces with four equivalent GeU4Ge4 hexagonal bipyramids. All Ge–Ge bond lengths are 2.70 Å. S is bonded to five equivalent U atoms to form SU5 square pyramids that share corners with twelve equivalent GeU4Ge4 hexagonal bipyramids, corners with four equivalent SU5 square pyramids, edges with four equivalent GeU4Ge4 hexagonal bipyramids, and edges with eight equivalent SU5 square pyramids.
DOI: 10.17188/1196109
title: Materials Data on NdIn2Ir by Materials Project

description: NdIrIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to three equivalent Ir and ten equivalent In atoms. There are one shorter (3.00 Å) and two longer (3.12 Å) Nd–Ir bond lengths. There are a spread of Nd–In bond distances ranging from 3.37–3.53 Å. Ir is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.84 Å) Ir–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Nd, three equivalent Ir, and four equivalent In atoms. There are a spread of In–In bond distances ranging from 3.13–3.22 Å.