cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196883
title: Materials Data on Dy(FeGe)2 by Materials Project

description: DyFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Dy–Fe bond lengths are 3.23 Å. All Dy–Ge bond lengths are 3.10 Å. Fe is bonded to four equivalent Dy and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing FeDy4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.60 Å.
DOI: 10.17188/1196884
title: Materials Data on GdPd3 by Materials Project

description: GdPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pd atoms to form a mixture of corner and face-sharing GdPd12 cuboctahedra. All Gd–Pd bond lengths are 2.94 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Gd atoms.
DOI: 10.17188/1196885
title: Materials Data on Th2In by Materials Project

description: Th2In is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent In atoms. All Th–In bond lengths are 3.33 Å. In is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent In atoms. Both In–In bond lengths are 3.01 Å.
DOI: 10.17188/1196886
title: Materials Data on U(CoSi)2 by Materials Project

description: UCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 2.99 Å. Co2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.40 Å.
DOI: 10.17188/1196887
title: Materials Data on USe by Materials Project

description: USe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing USe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Se bond lengths are 2.87 Å. Se is bonded to six equivalent U atoms to form a mixture of edge and corner-sharing SeU6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196888
title: Materials Data on YbPb3 by Materials Project

description: YbPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing YbPb12 cuboctahedra. All Yb–Pb bond lengths are 3.48 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Yb atoms.
DOI: 10.17188/1196889
title: Materials Data on HoIn3 by Materials Project

description: HoIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent In atoms to form HoIn12 cuboctahedra that share corners with twelve equivalent HoIn12 cuboctahedra, edges with twenty-four equivalent InHo4In8 cuboctahedra, faces with six equivalent HoIn12 cuboctahedra, and faces with twelve equivalent InHo4In8 cuboctahedra. All Ho–In bond lengths are 3.27 Å. In is bonded to four equivalent Ho and eight equivalent In atoms to form distorted InHo4In8 cuboctahedra that share corners with twelve equivalent InHo4In8 cuboctahedra, edges with eight equivalent HoIn12 cuboctahedra, edges with sixteen equivalent InHo4In8 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with fourteen equivalent InHo4In8 cuboctahedra. All In–In bond lengths are 3.27 Å.
DOI: 10.17188/1196890
title: Materials Data on LaPb3 by Materials Project

description: LaPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Pb atoms to form a mixture of corner and face-sharing LaPb12 cuboctahedra. All La–Pb bond lengths are 3.51 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent La atoms.
DOI: 10.17188/1196891
title: Materials Data on TbTiGe by Materials Project

description: TbTiGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are four shorter (3.00 Å) and one longer (3.20 Å) Tb–Ge bond lengths. Ti is bonded to four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing TiGe4 cuboctahedra. All Ti–Ge bond lengths are 2.76 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Ti atoms.
DOI: 10.17188/1196892
title: Materials Data on GdCuSn by Materials Project

description: GdCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.97 Å) and three longer (3.49 Å) Gd–Cu bond lengths. There are three shorter (3.13 Å) and three longer (3.29 Å) Gd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Sn atoms. There are three shorter (2.70 Å) and one longer (3.07 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Cu atoms.
DOI: 10.17188/1196893
title: Materials Data on LaInAu by Materials Project

description: LaInAu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.21 Å) and one longer (3.27 Å) La–Au bond lengths. There are two shorter (3.43 Å) and four longer (3.58 Å) La–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent La and six equivalent In atoms. All Au–In bond lengths are 2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent La and three equivalent In atoms. All Au–In bond lengths are 3.03 Å. In is bonded in a 4-coordinate geometry to six equivalent La and four Au atoms.
DOI: 10.17188/1196894
title: Materials Data on YbMnSi by Materials Project

description: YbMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.07 Å. Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.41–2.64 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Yb2+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1196895
title: Materials Data on NbCrGe by Materials Project

description: NbCrGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nb is bonded in a 5-coordinate geometry to six equivalent Cr and five Ge atoms. There are two shorter (2.85 Å) and four longer (2.93 Å) Nb–Cr bond lengths. There are four shorter (2.66 Å) and one longer (2.74 Å) Nb–Ge bond lengths. Cr is bonded in a 4-coordinate geometry to six equivalent Nb and four Ge atoms. There are two shorter (2.42 Å) and two longer (2.56 Å) Cr–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Nb and three equivalent Cr atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Nb and six equivalent Cr atoms.
DOI: 10.17188/1196896
title: Materials Data on CeSiIr by Materials Project

description: CeIrSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent Si atoms. There are three shorter (3.03 Å) and one longer (3.42 Å) Ce–Ir bond lengths. All Ce–Si bond lengths are 3.21 Å. Ir is bonded in a 3-coordinate geometry to four equivalent Ce and three equivalent Si atoms. All Ir–Si bond lengths are 2.34 Å. Si is bonded in a 3-coordinate geometry to four equivalent Ce and three equivalent Ir atoms.
DOI: 10.17188/1196897
title: Materials Data on Ce2Pd2Pb by Materials Project

description: Ce2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.93 Å) and four longer (3.08 Å) Ce–Pd bond lengths. All Ce–Pb bond lengths are 3.49 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Ce, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–Pb bond lengths are 3.14 Å. Pb is bonded to eight equivalent Ce and four equivalent Pd atoms to form a mixture of corner and face-sharing PbCe8Pd4 cuboctahedra.
DOI: 10.17188/1196898
title: Materials Data on Ba3In2O5F2 by Materials Project

description: Ba3In2O5F2 crystallizes in the tetragonal I4/mmm 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 four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight equivalent InO5F octahedra. There are four shorter (3.00 Å) and eight longer (3.21 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent F1- atoms. All Ba–O bond lengths are 2.71 Å. There are one shorter (2.75 Å) and four longer (3.08 Å) Ba–F bond lengths. In3+ is bonded to five O2- and one F1- atom to form distorted InO5F octahedra that share corners with five equivalent InO5F octahedra and faces with four equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are one shorter (2.11 Å) and four longer (2.14 Å) In–O bond lengths. The In–F bond length is 2.64 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles are 0°. F1- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one In3+ atom.
DOI: 10.17188/1196899
title: Materials Data on BaPb3 by Materials Project

description: BaPb3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to twelve Pb atoms to form a mixture of face and corner-sharing BaPb12 cuboctahedra. There are three shorter (3.72 Å) and nine longer (3.73 Å) Ba–Pb bond lengths. In the second Ba site, Ba is bonded to twelve Pb atoms to form a mixture of face and corner-sharing BaPb12 cuboctahedra. There are six shorter (3.72 Å) and six longer (3.77 Å) Ba–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four Ba and six Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.25–3.53 Å. In the second Pb site, Pb is bonded in a distorted square co-planar geometry to four Ba and four equivalent Pb atoms.
DOI: 10.17188/1196900
title: Materials Data on Nb4CoP by Materials Project

description: Nb4CoP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Nb is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent P atoms. Both Nb–Co bond lengths are 2.60 Å. Both Nb–P bond lengths are 2.65 Å. Co is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Co atoms. Both Co–Co bond lengths are 2.52 Å. P is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent P atoms. Both P–P bond lengths are 2.52 Å.
DOI: 10.17188/1196905
title: Materials Data on NbCoP by Materials Project

description: NbCoP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent P3- atoms to form distorted NbP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent NbP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.56–2.62 Å. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent NbP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent NbP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.25–2.36 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Co1+ atoms.
DOI: 10.17188/1196906
title: Materials Data on ErSi2 by Materials Project

description: ErSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing ErSi12 cuboctahedra. All Er–Si bond lengths are 3.06 Å. Si is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Si–Si bond lengths are 2.36 Å.
DOI: 10.17188/1196907
title: Materials Data on Nd2InPd2 by Materials Project

description: Nd2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.94 Å) and four longer (3.09 Å) Nd–Pd bond lengths. All Nd–In bond lengths are 3.50 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Nd, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–In bond lengths are 3.11 Å. In is bonded to eight equivalent Nd and four equivalent Pd atoms to form a mixture of corner and face-sharing InNd8Pd4 cuboctahedra.
DOI: 10.17188/1196908
title: Materials Data on Ba2SmCu3O7 by Materials Project

description: SmBa2Cu3O7 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.03 Å. Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.47 Å) Sm–O bond lengths. There are two inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.96–2.26 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.97 Å) Cu–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+ and two Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Sm3+, and two equivalent Cu+2.33+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Sm3+, and two equivalent Cu+2.33+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°.
DOI: 10.17188/1196909
title: Materials Data on Pb3O4 by Materials Project

description: Pb3O4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pb+2.67+ sites. In the first Pb+2.67+ site, Pb+2.67+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.72 Å. In the second Pb+2.67+ site, Pb+2.67+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.91 Å. In the third Pb+2.67+ site, Pb+2.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.19 Å) and four longer (2.25 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Pb+2.67+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Pb+2.67+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Pb+2.67+ atoms.
DOI: 10.17188/1196910
title: Materials Data on PrSnPt by Materials Project

description: PrPtSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Sn atoms. There are a spread of Pr–Pt bond distances ranging from 3.13–3.66 Å. There are a spread of Pr–Sn bond distances ranging from 3.28–3.43 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.75–2.91 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pt atoms.
DOI: 10.17188/1196911
title: Materials Data on EuAlO3 by Materials Project

description: EuAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Eu–O bond distances ranging from 2.44–2.98 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 14–16°. All Al–O bond lengths are 1.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Eu3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Eu3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1196912
title: Materials Data on SmMgIn by Materials Project

description: MgSmIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four In atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. There are two shorter (2.96 Å) and two longer (3.01 Å) Mg–In bond lengths. Sm is bonded in a 5-coordinate geometry to five In atoms. There are four shorter (3.28 Å) and one longer (3.31 Å) Sm–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Sm atoms. In the second In site, In is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Sm atoms.
DOI: 10.17188/1196913
title: Materials Data on Ti3Cu3O by Materials Project

description: Ti3Cu3O crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ti is bonded in a distorted bent 150 degrees geometry to six Cu and two equivalent O atoms. There are two shorter (2.64 Å) and four longer (2.91 Å) Ti–Cu bond lengths. Both Ti–O bond lengths are 2.10 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to six equivalent Ti and six Cu atoms. There are three shorter (2.44 Å) and three longer (2.69 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to six equivalent Ti and six equivalent Cu atoms to form CuTi6Cu6 cuboctahedra that share edges with six equivalent OTi6 octahedra and faces with six equivalent CuTi6Cu6 cuboctahedra. O is bonded to six equivalent Ti atoms to form OTi6 octahedra that share corners with six equivalent OTi6 octahedra and edges with six equivalent CuTi6Cu6 cuboctahedra. The corner-sharing octahedral tilt angles are 38°.
DOI: 10.17188/1196914
title: Materials Data on GdCdCu by Materials Project

description: GdCuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to five Cu and six equivalent Cd atoms. There are four shorter (3.01 Å) and one longer (3.08 Å) Gd–Cu bond lengths. There are two shorter (3.22 Å) and four longer (3.34 Å) Gd–Cd bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Cd atoms. All Cu–Cd bond lengths are 2.73 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Cd atoms. All Cu–Cd bond lengths are 2.86 Å. Cd is bonded in a 12-coordinate geometry to six equivalent Gd and four Cu atoms.
DOI: 10.17188/1196915
title: Materials Data on InAgS2 by Materials Project

description: AgInS2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.57–2.62 Å. In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.50–2.52 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form corner-sharing SIn2Ag2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form corner-sharing SIn2Ag2 tetrahedra.
DOI: 10.17188/1196916
title: Materials Data on KGe by Materials Project

description: KGe crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of K–Ge bond distances ranging from 3.38–3.67 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Ge atoms. There are three shorter (3.50 Å) and three longer (3.67 Å) K–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six K and three equivalent Ge atoms. There are two shorter (2.60 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six K and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.60 Å.
DOI: 10.17188/1196917
title: Materials Data on CeIn2Pd by Materials Project

description: CePdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (3.02 Å) and two longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.31–3.61 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.87 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ce, three equivalent Pd, and two equivalent In atoms. There are one shorter (3.00 Å) and one longer (3.02 Å) In–In bond lengths.