cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195919
title: Materials Data on LiCeSn2 by Materials Project

description: LiCeSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Ce and five Sn atoms. All Li–Ce bond lengths are 3.49 Å. There are a spread of Li–Sn bond distances ranging from 2.52–2.68 Å. Ce is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.43–3.65 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Li and four equivalent Ce atoms to form a mixture of distorted face and edge-sharing SnLi4Ce4 tetrahedra. In the second Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Ce atoms.
DOI: 10.17188/1195920
title: Materials Data on LaTiGe by Materials Project

description: LaTiGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are four shorter (3.14 Å) and one longer (3.51 Å) La–Ge bond lengths. Ti is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing TiGe4 tetrahedra. All Ti–Ge bond lengths are 2.72 Å. Ge is bonded in a 9-coordinate geometry to five equivalent La and four equivalent Ti atoms.
DOI: 10.17188/1195921
title: Materials Data on MnAlGe by Materials Project

description: MnAlGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to four equivalent Mn, four equivalent Al, and four equivalent Ge atoms. All Mn–Mn bond lengths are 2.75 Å. All Mn–Al bond lengths are 2.62 Å. All Mn–Ge bond lengths are 2.56 Å. Al is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. There are one shorter (2.53 Å) and four longer (2.75 Å) Al–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Al atoms.
DOI: 10.17188/1195922
title: Materials Data on SrMnSn by Materials Project

description: SrMnSn is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Sn atoms. All Sr–Mn bond lengths are 3.41 Å. There are four shorter (3.49 Å) and one longer (3.67 Å) Sr–Sn bond lengths. Mn is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Sn atoms. All Mn–Sn bond lengths are 2.82 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Sr and four equivalent Mn atoms.
DOI: 10.17188/1195923
title: Materials Data on ZrSe2 by Materials Project

description: ZrSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZrSe2 sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to six equivalent Se2- atoms to form edge-sharing ZrSe6 octahedra. All Zr–Se bond lengths are 2.71 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Zr4+ atoms.
DOI: 10.17188/1195924
title: Materials Data on La2In by Materials Project

description: La2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to eight La and six equivalent In atoms. There are two shorter (3.57 Å) and six longer (3.72 Å) La–La bond lengths. All La–In bond lengths are 3.72 Å. In the second La site, La is bonded to six equivalent La and five equivalent In atoms to form a mixture of distorted face and corner-sharing LaLa6In5 trigonal bipyramids. There are three shorter (3.26 Å) and two longer (3.57 Å) La–In bond lengths. In is bonded in a 11-coordinate geometry to eleven La atoms.
DOI: 10.17188/1195925
title: Materials Data on LaCoGe by Materials Project

description: LaCoGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to four equivalent Co and five equivalent Ge atoms. All La–Co bond lengths are 3.03 Å. There are four shorter (3.11 Å) and one longer (3.62 Å) La–Ge bond lengths. Co is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Co–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to five equivalent La and four equivalent Co atoms.
DOI: 10.17188/1195926
title: Materials Data on USnPd by Materials Project

description: UPdSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U, six equivalent Pd, and six equivalent Sn atoms. Both U–U bond lengths are 2.89 Å. All U–Pd bond lengths are 3.22 Å. There are three shorter (3.22 Å) and three longer (3.23 Å) U–Sn bond lengths. Pd is bonded in a 11-coordinate geometry to six equivalent U and five equivalent Sn atoms. There are four shorter (2.88 Å) and one longer (2.90 Å) Pd–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to six equivalent U and five equivalent Pd atoms.
DOI: 10.17188/1195927
title: Materials Data on Na2Gd2Ti3O10 by Materials Project

description: Na2Gd2Ti3O10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent O2- atoms. There are one shorter (2.30 Å) and four longer (2.71 Å) Na–O bond lengths. Gd3+ is bonded to twelve O2- atoms to form distorted GdO12 cuboctahedra that share corners with eight equivalent GdO12 cuboctahedra, faces with five equivalent GdO12 cuboctahedra, and faces with four equivalent TiO6 octahedra. There are a spread of Gd–O bond distances ranging from 2.48–2.89 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.24 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent TiO6 octahedra and faces with eight equivalent GdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.92 Å) and two longer (1.93 Å) Ti–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Gd3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to five equivalent Na1+ and one Ti4+ atom to form a mixture of distorted edge and corner-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O2- site, O2- is bonded in a linear geometry to four equivalent Gd3+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Gd3+ and two Ti4+ atoms.
DOI: 10.17188/1195956
title: Materials Data on YbCeSe3 by Materials Project

description: CeYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two shorter (2.83 Å) and four longer (2.97 Å) Yb–Se bond lengths. Ce3+ is bonded in a 6-coordinate geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.85–3.40 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Ce3+ atoms to form corner-sharing SeYb2Ce2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Ce3+ atoms.
DOI: 10.17188/1195957
title: Materials Data on NpSi by Materials Project

description: NpSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to two equivalent Np4+ and six equivalent Si4- atoms. Both Np–Np bond lengths are 2.57 Å. There are a spread of Np–Si bond distances ranging from 2.89–3.03 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Np4+ and four equivalent Si4- atoms. There are two shorter (2.50 Å) and two longer (2.57 Å) Si–Si bond lengths.
DOI: 10.17188/1195958
title: Materials Data on CeCuGe by Materials Project

description: CeCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing CeCu6Ge6 cuboctahedra. All Ce–Cu bond lengths are 3.15 Å. All Ce–Ge bond lengths are 3.15 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms.
DOI: 10.17188/1195959
title: Materials Data on Fe(SbS2)2 by Materials Project

description: FeSb2S4 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded to six S2- atoms to form edge-sharing FeS6 octahedra. There are a spread of Fe–S bond distances ranging from 2.23–2.36 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.59–3.01 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.53–3.17 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe2+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Fe2+ and two equivalent Sb3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Fe2+ and four Sb3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Fe2+ and three equivalent Sb3+ atoms.
DOI: 10.17188/1195960
title: Materials Data on ZnFeSb by Materials Project

description: FeZnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe is bonded to six equivalent Zn and four equivalent Sb atoms to form distorted FeZn6Sb4 tetrahedra that share corners with four equivalent ZnFe6Sb4 tetrahedra, corners with six equivalent FeZn6Sb4 tetrahedra, edges with six equivalent ZnFe6Sb4 tetrahedra, and faces with twelve equivalent FeZn6Sb4 tetrahedra. All Fe–Zn bond lengths are 3.11 Å. All Fe–Sb bond lengths are 2.69 Å. Zn is bonded to six equivalent Fe and four equivalent Sb atoms to form distorted ZnFe6Sb4 tetrahedra that share corners with four equivalent FeZn6Sb4 tetrahedra, corners with six equivalent ZnFe6Sb4 tetrahedra, edges with six equivalent FeZn6Sb4 tetrahedra, and faces with twelve equivalent ZnFe6Sb4 tetrahedra. All Zn–Sb bond lengths are 2.69 Å. Sb is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Zn atoms.
DOI: 10.17188/1195961
title: Materials Data on DyMg by Materials Project

description: DyMg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.28 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1195962
title: Materials Data on Eu(ZnGe)2 by Materials Project

description: EuZn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ge atoms. All Eu–Zn bond lengths are 3.45 Å. All Eu–Ge bond lengths are 3.32 Å. Zn is bonded to four equivalent Eu and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing ZnEu4Ge4 tetrahedra. All Zn–Ge bond lengths are 2.59 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1195963
title: Materials Data on PuAs by Materials Project

description: PuAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Pu–As bond lengths are 3.05 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Pu3+ atoms.
DOI: 10.17188/1195964
title: Materials Data on NdCuSn by Materials Project

description: NdCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (3.05 Å) and three longer (3.55 Å) Nd–Cu bond lengths. There are three shorter (3.20 Å) and three longer (3.36 Å) Nd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Sn atoms. There are three shorter (2.73 Å) and one longer (3.25 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Cu atoms.
DOI: 10.17188/1195965
title: Materials Data on CeDyS3 by Materials Project

description: DyCeS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to seven S2- atoms to form distorted edge-sharing DyS7 pentagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.75–2.91 Å. Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.80–3.12 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Dy3+ and two equivalent Ce3+ atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with six equivalent SCe4Dy square pyramids, corners with seven equivalent SCe2Dy3 trigonal bipyramids, an edgeedge with one SCe4Dy square pyramid, edges with seven SCe2Dy3 trigonal bipyramids, and a faceface with one SCe4Dy square pyramid. In the second S2- site, S2- is bonded to one Dy3+ and four equivalent Ce3+ atoms to form distorted SCe4Dy square pyramids that share corners with four equivalent SCe4Dy square pyramids, corners with nine SCe2Dy3 trigonal bipyramids, edges with four equivalent SCe4Dy square pyramids, edges with five SCe2Dy3 trigonal bipyramids, and a faceface with one SCe2Dy3 trigonal bipyramid. In the third S2- site, S2- is bonded to three equivalent Dy3+ and two equivalent Ce3+ atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with three equivalent SCe4Dy square pyramids, corners with eleven SCe2Dy3 trigonal bipyramids, edges with four equivalent SCe4Dy square pyramids, and edges with five SCe2Dy3 trigonal bipyramids.
DOI: 10.17188/1195966
title: Materials Data on U(CoGe)2 by Materials Project

description: UCo2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All U–Co bond lengths are 3.13 Å. All U–Ge bond lengths are 3.11 Å. Co is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Co–Ge bond lengths are 2.33 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.46 Å.
DOI: 10.17188/1195967
title: Materials Data on SmCoGe by Materials Project

description: SmCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to four equivalent Co and six equivalent Ge atoms. There are a spread of Sm–Co bond distances ranging from 2.91–3.00 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.19 Å. Co is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.45–2.56 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Co atoms.
DOI: 10.17188/1195968
title: Materials Data on Dy2Be2GeO7 by Materials Project

description: Be2Dy2GeO7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.57–1.70 Å. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.60 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All Ge–O bond lengths are 1.76 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent Dy3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to two equivalent Be2+ and two equivalent Dy3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Be2+ and three equivalent Dy3+ atoms.
DOI: 10.17188/1195969
title: Materials Data on Li2CeSb2 by Materials Project

description: Li2CeSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five Sb+2.50- atoms. There are one shorter (2.56 Å) and four longer (2.68 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of corner and edge-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.45 Å) and four longer (3.53 Å) Ce–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to five Li1+ and four equivalent Ce3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent Li1+ and four equivalent Ce3+ atoms to form a mixture of distorted edge and face-sharing SbLi4Ce4 tetrahedra.
DOI: 10.17188/1195970
title: Materials Data on TiCu by Materials Project

description: TiCu is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one TiCu sheet oriented in the (0, 0, 1) direction. Ti is bonded in a 10-coordinate geometry to five equivalent Cu atoms. There are four shorter (2.64 Å) and one longer (2.76 Å) Ti–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.56 Å.
DOI: 10.17188/1195971
title: Materials Data on Tb(MnSn)6 by Materials Project

description: TbMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to eight Sn atoms to form distorted edge-sharing TbSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Tb–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Tb, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms.
DOI: 10.17188/1195972
title: Materials Data on RbHg(NO2)3 by Materials Project

description: Rb(NO2)3Hg crystallizes in the cubic Pm-3 space group. The structure is three-dimensional and consists of one mercury molecule and one Rb(NO2)3 framework. In the Rb(NO2)3 framework, Rb1+ is bonded to twelve equivalent O2- atoms to form edge-sharing RbO12 cuboctahedra. All Rb–O bond lengths are 3.55 Å. N3+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.24 Å. O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one N3+ atom.
DOI: 10.17188/1195973
title: Materials Data on LiInTe2 by Materials Project

description: LiInTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Te2- atoms to form LiTe4 tetrahedra that share corners with four equivalent LiTe4 tetrahedra and corners with eight equivalent InTe4 tetrahedra. All Li–Te bond lengths are 2.78 Å. In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight equivalent LiTe4 tetrahedra. All In–Te bond lengths are 2.84 Å. Te2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing TeLi2In2 tetrahedra.
DOI: 10.17188/1195974
title: Materials Data on Ta3PbS6 by Materials Project

description: Ta3PbS6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta+3.33+ sites. In the first Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.50 Å. In the second Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. Pb2+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Pb–S bond lengths are 2.95 Å. S2- is bonded in a 4-coordinate geometry to three Ta+3.33+ and one Pb2+ atom.
DOI: 10.17188/1195975
title: Materials Data on Nd(FeGe)2 by Materials Project

description: NdFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Nd–Fe bond lengths are 3.36 Å. All Nd–Ge bond lengths are 3.14 Å. Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing FeNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.62 Å.
DOI: 10.17188/1195976
title: Materials Data on Dy3In by Materials Project

description: Dy3In is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight equivalent Dy and four equivalent In atoms to form distorted DyDy8In4 cuboctahedra that share corners with twelve equivalent DyDy8In4 cuboctahedra, edges with eight equivalent InDy12 cuboctahedra, edges with sixteen equivalent DyDy8In4 cuboctahedra, faces with four equivalent InDy12 cuboctahedra, and faces with fourteen DyDy8In4 cuboctahedra. All Dy–Dy bond lengths are 3.43 Å. All Dy–In bond lengths are 3.42 Å. In the second Dy site, Dy is bonded to eight Dy and four equivalent In atoms to form distorted DyDy8In4 cuboctahedra that share corners with twelve equivalent DyDy8In4 cuboctahedra, edges with eight equivalent InDy12 cuboctahedra, edges with sixteen DyDy8In4 cuboctahedra, faces with four equivalent InDy12 cuboctahedra, and faces with fourteen DyDy8In4 cuboctahedra. All Dy–Dy bond lengths are 3.42 Å. All Dy–In bond lengths are 3.43 Å. In is bonded to twelve Dy atoms to form InDy12 cuboctahedra that share corners with twelve equivalent InDy12 cuboctahedra, edges with twenty-four DyDy8In4 cuboctahedra, faces with six equivalent InDy12 cuboctahedra, and faces with twelve DyDy8In4 cuboctahedra.