cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197379
title: Materials Data on Zr2InCo2 by Materials Project

description: Zr2Co2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to six equivalent Co and four equivalent In atoms. There are two shorter (2.67 Å) and four longer (2.71 Å) Zr–Co bond lengths. All Zr–In bond lengths are 3.15 Å. Co is bonded in a 6-coordinate geometry to six equivalent Zr, one Co, and two equivalent In atoms. The Co–Co bond length is 2.58 Å. Both Co–In bond lengths are 2.85 Å. In is bonded to eight equivalent Zr, four equivalent Co, and two equivalent In atoms to form a mixture of distorted corner and face-sharing InZr8In2Co4 cuboctahedra. Both In–In bond lengths are 3.30 Å.
DOI: 10.17188/1197380
title: Materials Data on BaGePt by Materials Project

description: BaPtGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to four equivalent Pt and four equivalent Ge atoms. There are one shorter (3.25 Å) and three longer (3.49 Å) Ba–Pt bond lengths. There are one shorter (3.49 Å) and three longer (3.57 Å) Ba–Ge bond lengths. Pt is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent Ge atoms. All Pt–Ge bond lengths are 2.47 Å. Ge is bonded in a 3-coordinate geometry to four equivalent Ba and three equivalent Pt atoms.
DOI: 10.17188/1197381
title: Materials Data on NaFeAs by Materials Project

description: NaFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent As3- atoms. There are four shorter (2.99 Å) and one longer (3.22 Å) Na–As bond lengths. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.35 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1197382
title: Materials Data on In2Au by Materials Project

description: AuIn2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Au–In bond lengths are 2.90 Å. In is bonded to four equivalent Au atoms to form a mixture of edge and corner-sharing InAu4 tetrahedra.
DOI: 10.17188/1197383
title: Materials Data on Hf2InC by Materials Project

description: Hf2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Hf–In bond lengths are 3.16 Å. All Hf–C bond lengths are 2.27 Å. In is bonded to six equivalent Hf atoms to form distorted InHf6 cuboctahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent InHf6 cuboctahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra.
DOI: 10.17188/1197384
title: Materials Data on TbCoC by Materials Project

description: TbCoC crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Tb3+ is bonded to four equivalent C4- atoms to form a mixture of distorted corner and edge-sharing TbC4 tetrahedra. All Tb–C bond lengths are 2.52 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 Tb3+ and two equivalent Co1+ atoms to form a mixture of corner and edge-sharing CTb4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1197385
title: Materials Data on UNiAs2 by Materials Project

description: UNiAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.93 Å) and four longer (3.00 Å) U–As bond lengths. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.45 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent As3- atoms. All As–As bond lengths are 2.79 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Ni2+ atoms.
DOI: 10.17188/1197386
title: Materials Data on Ce2Co17 by Materials Project

description: Ce2Co17 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 2-coordinate geometry to twenty Co atoms. There are a spread of Ce–Co bond distances ranging from 2.88–3.14 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.95–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to three Ce and nine Co atoms to form distorted CoCe3Co9 cuboctahedra that share corners with twenty-three CoCe2Co10 cuboctahedra, edges with ten CoCe2Co10 cuboctahedra, and faces with twenty CoCe3Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.61 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.67 Å. In the third Co site, Co is bonded to two equivalent Ce and ten Co atoms to form CoCe2Co10 cuboctahedra that share corners with twenty-two CoCe2Co10 cuboctahedra, edges with ten CoCe2Co10 cuboctahedra, and faces with eighteen CoCe3Co9 cuboctahedra. All Co–Co bond lengths are 2.39 Å. In the fourth Co site, Co is bonded to two Ce and ten Co atoms to form distorted CoCe2Co10 cuboctahedra that share corners with twenty-four CoCe3Co9 cuboctahedra, edges with five CoCe2Co10 cuboctahedra, and faces with twenty-one CoCe3Co9 cuboctahedra. There are one shorter (2.33 Å) and one longer (2.46 Å) Co–Co bond lengths.
DOI: 10.17188/1197387
title: Materials Data on CaYb2O4 by Materials Project

description: CaYb2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.40–2.66 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.61 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form edge-sharing YbO6 octahedra. There are a spread of Yb–O bond distances ranging from 2.23–2.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Yb3+ atoms to form distorted OCa2Yb3 trigonal bipyramids that share corners with four equivalent OCa2Yb4 octahedra, corners with six equivalent OCa2Yb3 square pyramids, corners with three equivalent OCa2Yb3 trigonal bipyramids, edges with two equivalent OCa2Yb3 square pyramids, edges with six OCa2Yb3 trigonal bipyramids, and a faceface with one OCa2Yb4 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and three Yb3+ atoms to form distorted OCa2Yb3 trigonal bipyramids that share corners with five equivalent OCa2Yb4 octahedra, corners with seven OCa2Yb3 trigonal bipyramids, edges with three equivalent OCa2Yb4 octahedra, edges with four equivalent OCa2Yb3 square pyramids, and edges with two equivalent OCa2Yb3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 5–49°. In the third O2- site, O2- is bonded to two equivalent Ca2+ and four Yb3+ atoms to form distorted OCa2Yb4 octahedra that share corners with three equivalent OCa2Yb3 square pyramids, corners with nine OCa2Yb3 trigonal bipyramids, edges with four equivalent OCa2Yb4 octahedra, edges with three equivalent OCa2Yb3 square pyramids, edges with three equivalent OCa2Yb3 trigonal bipyramids, and a faceface with one OCa2Yb3 trigonal bipyramid. In the fourth O2- site, O2- is bonded to two equivalent Ca2+ and three Yb3+ atoms to form distorted OCa2Yb3 square pyramids that share corners with three equivalent OCa2Yb4 octahedra, corners with six equivalent OCa2Yb3 trigonal bipyramids, edges with three equivalent OCa2Yb4 octahedra, edges with two equivalent OCa2Yb3 square pyramids, and edges with six OCa2Yb3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 2–30°.
DOI: 10.17188/1197388
title: Materials Data on YbNiSn by Materials Project

description: YbNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Sn atoms. There are a spread of Yb–Ni bond distances ranging from 2.93–3.24 Å. There are a spread of Yb–Sn bond distances ranging from 3.16–3.24 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.60–2.69 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Ni atoms.
DOI: 10.17188/1197389
title: Materials Data on NaSn2(PO4)3 by Materials Project

description: NaSn2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.07 Å) Sn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–39°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Sn4+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom.
DOI: 10.17188/1197390
title: Materials Data on PrNiSn by Materials Project

description: PrNiSn is Titanium Disilicide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Pr–Ni bond distances ranging from 3.03–3.62 Å. There are a spread of Pr–Sn bond distances ranging from 3.23–3.39 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.66–2.77 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ni atoms.
DOI: 10.17188/1197391
title: Materials Data on Ce(CoB)4 by Materials Project

description: CeCo4B4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Ce4+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are eight shorter (2.89 Å) and four longer (2.91 Å) Ce–B bond lengths. Co2+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Co–B bond distances ranging from 2.07–2.12 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ce4+, five equivalent Co2+, and one B3- atom. The B–B bond length is 1.75 Å.
DOI: 10.17188/1197392
title: Materials Data on Co3Mo3N by Materials Project

description: Co3Mo3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo is bonded in a 2-coordinate geometry to six Co and two equivalent N atoms. There are a spread of Mo–Co bond distances ranging from 2.67–2.73 Å. Both Mo–N bond lengths are 2.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Mo and six equivalent Co atoms to form CoCo6Mo6 cuboctahedra that share edges with six equivalent NMo6 octahedra and faces with six equivalent CoCo6Mo6 cuboctahedra. All Co–Co bond lengths are 2.37 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six equivalent Mo and six Co atoms. All Co–Co bond lengths are 2.51 Å. N is bonded to six equivalent Mo atoms to form NMo6 octahedra that share corners with six equivalent NMo6 octahedra and edges with six equivalent CoCo6Mo6 cuboctahedra. The corner-sharing octahedral tilt angles are 47°.
DOI: 10.17188/1197393
title: Materials Data on Zr6Ga2Co by Materials Project

description: Zr6CoGa2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Co and two equivalent Ga atoms. Both Zr–Co bond lengths are 2.59 Å. Both Zr–Ga bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to four equivalent Ga atoms. All Zr–Ga bond lengths are 2.92 Å. Co is bonded in a 6-coordinate geometry to six equivalent Zr atoms. Ga is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1197394
title: Materials Data on Mn(InS2)2 by Materials Project

description: MnIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mn–S bond lengths are 2.43 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mn2+ and three equivalent In3+ atoms.
DOI: 10.17188/1197395
title: Materials Data on LuCd by Materials Project

description: LuCd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Lu–Cd bond lengths are 3.18 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1197396
title: Materials Data on Li4PbO4 by Materials Project

description: Li4O4Pb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent PbO4 tetrahedra, corners with six LiO4 tetrahedra, and edges with three LiO4 tetrahedra. There is two shorter (1.96 Å) and two longer (2.00 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent PbO4 tetrahedra, corners with six LiO4 tetrahedra, and edges with three LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.10 Å. Pb4+ is bonded to four O2- atoms to form PbO4 tetrahedra that share corners with sixteen LiO4 tetrahedra. There are two shorter (2.10 Å) and two longer (2.11 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and one Pb4+ atom to form corner-sharing OLi4Pb trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Pb4+ atom.
DOI: 10.17188/1197402
title: Materials Data on Cu3SbS4 by Materials Project

description: Cu3SbS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.29–2.31 Å. In the second Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.31 Å) Cu–S bond lengths. Sb5+ is bonded to four S2- atoms to form SbS4 tetrahedra that share corners with twelve CuS4 tetrahedra. There are one shorter (2.46 Å) and three longer (2.47 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Cu1+ and one Sb5+ atom to form corner-sharing SCu3Sb tetrahedra. In the second S2- site, S2- is bonded to three Cu1+ and one Sb5+ atom to form corner-sharing SCu3Sb tetrahedra. In the third S2- site, S2- is bonded to three Cu1+ and one Sb5+ atom to form corner-sharing SCu3Sb tetrahedra.
DOI: 10.17188/1197403
title: Materials Data on Zr3NiSb7 by Materials Project

description: Zr3NiSb7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 2.97–3.42 Å. In the second Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 2.99–3.18 Å. In the third Zr4+ site, Zr4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 2.99–3.16 Å. Ni2+ is bonded to six Sb2- atoms to form distorted edge-sharing NiSb6 octahedra. There are a spread of Ni–Sb bond distances ranging from 2.59–2.73 Å. There are seven inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the second Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the third Sb2- site, Sb2- is bonded in a 3-coordinate geometry to three Zr4+ and one Ni2+ atom. In the fourth Sb2- site, Sb2- is bonded in a 5-coordinate geometry to three Zr4+ and two equivalent Ni2+ atoms. In the fifth Sb2- site, Sb2- is bonded in a 5-coordinate geometry to three equivalent Zr4+ and two equivalent Ni2+ atoms. In the sixth Sb2- site, Sb2- is bonded in a 5-coordinate geometry to five Zr4+ atoms. In the seventh Sb2- site, Sb2- is bonded in a 5-coordinate geometry to four Zr4+ and one Ni2+ atom.
DOI: 10.17188/1197404
title: Materials Data on EuC2(SN)2 by Materials Project

description: EuC2(NS)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Eu–N bond lengths. There are two shorter (3.13 Å) and two longer (3.24 Å) Eu–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom. S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom.
DOI: 10.17188/1197405
title: Materials Data on DyInAu by Materials Project

description: DyAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.14 Å) Dy–Au bond lengths. There are two shorter (3.28 Å) and four longer (3.42 Å) Dy–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 Dy and six equivalent In atoms. All Au–In bond lengths are 2.85 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Au–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to six equivalent Dy and four Au atoms.
DOI: 10.17188/1197406
title: Materials Data on YTiSi by Materials Project

description: TiSiY is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five equivalent Si atoms. There are four shorter (2.97 Å) and one longer (3.18 Å) Y–Si bond lengths. Ti is bonded to four equivalent Si atoms to form a mixture of distorted corner and edge-sharing TiSi4 cuboctahedra. All Ti–Si bond lengths are 2.70 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ti atoms.
DOI: 10.17188/1197407
title: Materials Data on Er5Mg24 by Materials Project

description: Mg24Er5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Er atoms. There are a spread of Mg–Mg bond distances ranging from 2.87–3.41 Å. There are three shorter (3.46 Å) and one longer (3.57 Å) Mg–Er bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Er atoms. There are two shorter (3.31 Å) and four longer (3.34 Å) Mg–Mg bond lengths. There are one shorter (3.22 Å) and one longer (3.65 Å) Mg–Er bond lengths. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to fifteen Mg and one Er atom. The Er–Er bond length is 3.63 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Er atoms.
DOI: 10.17188/1197408
title: Materials Data on Dy(GePd)2 by Materials Project

description: Dy(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Dy–Pd bond lengths are 3.32 Å. All Dy–Ge bond lengths are 3.27 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.52 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.44 Å.
DOI: 10.17188/1197409
title: Materials Data on Gd(GePd)2 by Materials Project

description: Gd(PdGe)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. There are six shorter (3.34 Å) and two longer (3.35 Å) Gd–Pd bond lengths. There are four shorter (3.29 Å) and four longer (3.30 Å) Gd–Ge bond lengths. Pd is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.47 Å.
DOI: 10.17188/1197410
title: Materials Data on Ba2SmNbO6 by Materials Project

description: Ba2SmNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent SmO6 octahedra, and faces with four equivalent NbO6 octahedra. All Ba–O bond lengths are 3.06 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–O bond lengths are 2.30 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent SmO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Sm3+, and one Nb5+ atom.