cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316339
title: Materials Data on ScSn3 by Materials Project

description: ScSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded to twelve Sn atoms to form ScSn12 cuboctahedra that share corners with four equivalent ScSn12 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with sixteen equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with eight equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.36 Å) Sc–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sc and eight Sn atoms to form distorted SnSc4Sn8 cuboctahedra that share corners with twelve equivalent SnSc4Sn8 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with eight equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with ten equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.36 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a square co-planar geometry to four equivalent Sc and eight equivalent Sn atoms.
DOI: 10.17188/1316340
title: Materials Data on ScOs3 by Materials Project

description: ScOs3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent Os1- atoms to form a mixture of face and corner-sharing ScOs12 cuboctahedra. All Sc–Os bond lengths are 2.80 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Sc3+ atoms.
DOI: 10.17188/1316341
title: Materials Data on Sc3P by Materials Project

description: Sc3P is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to eight Sc and four equivalent P atoms to form distorted ScSc8P4 cuboctahedra that share corners with twelve equivalent ScSc8P4 cuboctahedra, edges with eight equivalent ScSc8P4 cuboctahedra, edges with eight equivalent PSc12 cuboctahedra, faces with four equivalent PSc12 cuboctahedra, and faces with ten equivalent ScSc8P4 cuboctahedra. There are four shorter (2.88 Å) and four longer (3.12 Å) Sc–Sc bond lengths. All Sc–P bond lengths are 3.12 Å. In the second Sc site, Sc is bonded in a square co-planar geometry to eight equivalent Sc and four equivalent P atoms. All Sc–P bond lengths are 2.88 Å. P is bonded to twelve Sc atoms to form PSc12 cuboctahedra that share corners with four equivalent PSc12 cuboctahedra, edges with eight equivalent PSc12 cuboctahedra, edges with sixteen equivalent ScSc8P4 cuboctahedra, faces with four equivalent PSc12 cuboctahedra, and faces with eight equivalent ScSc8P4 cuboctahedra.
DOI: 10.17188/1316342
title: Materials Data on ScH4Pd3 by Materials Project

description: ScPd3H4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent H atoms to form ScH6 octahedra that share corners with six equivalent ScH6 octahedra and edges with twelve equivalent PdH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–H bond lengths are 2.11 Å. Pd is bonded to six H atoms to form PdH6 octahedra that share corners with six equivalent PdH6 octahedra, edges with four equivalent ScH6 octahedra, and edges with eight equivalent PdH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 2.11 Å. There are two inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two equivalent Sc and four equivalent Pd atoms. In the second H site, H is bonded to six equivalent Pd atoms to form corner-sharing HPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1316343
title: Materials Data on Hg3Bi by Materials Project

description: Hg3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to eight equivalent Hg and four equivalent Bi atoms to form distorted HgHg8Bi4 cuboctahedra that share corners with twelve equivalent HgHg8Bi4 cuboctahedra, edges with eight equivalent BiHg12 cuboctahedra, edges with sixteen equivalent HgHg8Bi4 cuboctahedra, faces with four equivalent BiHg12 cuboctahedra, and faces with fourteen equivalent HgHg8Bi4 cuboctahedra. All Hg–Hg bond lengths are 3.37 Å. All Hg–Bi bond lengths are 3.37 Å. Bi is bonded to twelve equivalent Hg atoms to form BiHg12 cuboctahedra that share corners with twelve equivalent BiHg12 cuboctahedra, edges with twenty-four equivalent HgHg8Bi4 cuboctahedra, faces with six equivalent BiHg12 cuboctahedra, and faces with twelve equivalent HgHg8Bi4 cuboctahedra.
DOI: 10.17188/1316344
title: Materials Data on HgBi3 by Materials Project

description: HgBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Bi atoms to form HgBi12 cuboctahedra that share corners with twelve equivalent HgBi12 cuboctahedra, edges with twenty-four equivalent BiHg4Bi8 cuboctahedra, faces with six equivalent HgBi12 cuboctahedra, and faces with twelve equivalent BiHg4Bi8 cuboctahedra. All Hg–Bi bond lengths are 3.50 Å. Bi is bonded to four equivalent Hg and eight equivalent Bi atoms to form BiHg4Bi8 cuboctahedra that share corners with twelve equivalent BiHg4Bi8 cuboctahedra, edges with eight equivalent HgBi12 cuboctahedra, edges with sixteen equivalent BiHg4Bi8 cuboctahedra, faces with four equivalent HgBi12 cuboctahedra, and faces with fourteen equivalent BiHg4Bi8 cuboctahedra. All Bi–Bi bond lengths are 3.50 Å.
DOI: 10.17188/1316345
title: Materials Data on Hg3Ir by Materials Project

description: IrHg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ir is bonded to twelve Hg atoms to form IrHg12 cuboctahedra that share corners with four equivalent IrHg12 cuboctahedra, corners with eight equivalent HgHg8Ir4 cuboctahedra, edges with eight equivalent IrHg12 cuboctahedra, edges with sixteen equivalent HgHg8Ir4 cuboctahedra, faces with four equivalent IrHg12 cuboctahedra, and faces with fourteen HgHg8Ir4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.10 Å) Ir–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Ir and eight Hg atoms to form HgHg8Ir4 cuboctahedra that share corners with twelve equivalent HgHg8Ir4 cuboctahedra, edges with eight equivalent IrHg12 cuboctahedra, edges with sixteen HgHg8Ir4 cuboctahedra, faces with four equivalent IrHg12 cuboctahedra, and faces with fourteen HgHg8Ir4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.10 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded to four equivalent Ir and eight equivalent Hg atoms to form distorted HgHg8Ir4 cuboctahedra that share corners with four equivalent HgHg8Ir4 cuboctahedra, corners with eight equivalent IrHg12 cuboctahedra, edges with twenty-four HgHg8Ir4 cuboctahedra, faces with six equivalent IrHg12 cuboctahedra, and faces with twelve HgHg8Ir4 cuboctahedra.
DOI: 10.17188/1316346
title: Materials Data on HoHfOs2 by Materials Project

description: HoHfOs2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ho–Os bond lengths are 2.88 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Hf–Os bond lengths are 2.88 Å. Os is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Hf atoms.
DOI: 10.17188/1316347
title: Materials Data on Lu2HgAu by Materials Project

description: Lu2AuHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Hg atoms. All Lu–Au bond lengths are 3.11 Å. All Lu–Hg bond lengths are 3.11 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1316348
title: Materials Data on Y(BIr)4 by Materials Project

description: Y(IrB)4 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to four equivalent B atoms. All Y–B bond lengths are 2.90 Å. Ir is bonded in a 4-coordinate geometry to four equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.10–2.18 Å. B is bonded in a 6-coordinate geometry to one Y, four equivalent Ir, and one B atom. The B–B bond length is 1.84 Å.
DOI: 10.17188/1316349
title: Materials Data on YbPrMg2 by Materials Project

description: Mg2YbPr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pr atoms. All Mg–Yb bond lengths are 3.40 Å. All Mg–Pr bond lengths are 3.40 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Pr is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1316350
title: Materials Data on Cu3SbSe4 by Materials Project

description: Cu3SbSe4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent SbSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Cu–Se bond lengths are 2.42 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent SbSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Sb5+ is bonded to four equivalent Se2- atoms to form SbSe4 tetrahedra that share corners with twelve CuSe4 tetrahedra. All Sb–Se bond lengths are 2.64 Å. Se2- is bonded to three Cu1+ and one Sb5+ atom to form corner-sharing SeCu3Sb tetrahedra.
DOI: 10.17188/1316351
title: Materials Data on LaNp3 by Materials Project

description: Np3La is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to eight equivalent Np and four equivalent La atoms to form NpLa4Np8 cuboctahedra that share corners with twelve equivalent NpLa4Np8 cuboctahedra, edges with eight equivalent LaNp12 cuboctahedra, edges with sixteen equivalent NpLa4Np8 cuboctahedra, faces with four equivalent LaNp12 cuboctahedra, and faces with fourteen equivalent NpLa4Np8 cuboctahedra. All Np–Np bond lengths are 3.23 Å. All Np–La bond lengths are 3.23 Å. La is bonded to twelve equivalent Np atoms to form LaNp12 cuboctahedra that share corners with twelve equivalent LaNp12 cuboctahedra, edges with twenty-four equivalent NpLa4Np8 cuboctahedra, faces with six equivalent LaNp12 cuboctahedra, and faces with twelve equivalent NpLa4Np8 cuboctahedra.
DOI: 10.17188/1316352
title: Materials Data on YbTa by Materials Project

description: YbTa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Yb is bonded to six equivalent Yb and six equivalent Ta atoms to form YbYb6Ta6 cuboctahedra that share corners with eighteen equivalent YbYb6Ta6 cuboctahedra, edges with six equivalent YbYb6Ta6 cuboctahedra, edges with twelve equivalent TaYb6Ta6 cuboctahedra, faces with eight equivalent YbYb6Ta6 cuboctahedra, and faces with twelve equivalent TaYb6Ta6 cuboctahedra. All Yb–Yb bond lengths are 3.10 Å. All Yb–Ta bond lengths are 3.24 Å. Ta is bonded to six equivalent Yb and six equivalent Ta atoms to form TaYb6Ta6 cuboctahedra that share corners with eighteen equivalent TaYb6Ta6 cuboctahedra, edges with six equivalent TaYb6Ta6 cuboctahedra, edges with twelve equivalent YbYb6Ta6 cuboctahedra, faces with eight equivalent TaYb6Ta6 cuboctahedra, and faces with twelve equivalent YbYb6Ta6 cuboctahedra. All Ta–Ta bond lengths are 3.10 Å.
DOI: 10.17188/1316353
title: Materials Data on TaTl(CuS2)2 by Materials Project

description: TaTl(CuS2)2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Ta5+ is bonded to four S2- atoms to form TaS4 tetrahedra that share edges with four CuS4 tetrahedra. There are a spread of Ta–S bond distances ranging from 2.29–2.33 Å. 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 CuS4 tetrahedra and edges with two equivalent TaS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.34–2.36 Å. In the second Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six CuS4 tetrahedra and edges with two equivalent TaS4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.35 Å) Cu–S bond lengths. Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.14–3.90 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Ta5+, two Cu1+, and one Tl1+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Ta5+, one Cu1+, and four equivalent Tl1+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Ta5+, three Cu1+, and one Tl1+ atom.
DOI: 10.17188/1316354
title: Materials Data on Y3SbO7 by Materials Project

description: Y3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.63 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one YO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent YO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Y–O bond distances ranging from 2.22–2.47 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent YO7 pentagonal bipyramids, and edges with four equivalent YO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.00 Å) and two longer (2.03 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Sb5+ atom.
DOI: 10.17188/1316355
title: Materials Data on YbPrPd2 by Materials Project

description: YbPrPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Yb–Pd bond lengths are 3.10 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pr–Pd bond lengths are 3.10 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pr atoms.
DOI: 10.17188/1316356
title: Materials Data on Hf2IrPd by Materials Project

description: Hf2IrPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Pd atoms. All Hf–Ir bond lengths are 2.86 Å. All Hf–Pd bond lengths are 2.86 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1316357
title: Materials Data on TmLuRh2 by Materials Project

description: LuTmRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Lu–Rh bond lengths are 2.92 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Tm–Rh bond lengths are 2.92 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tm atoms.
DOI: 10.17188/1316358
title: Materials Data on Pr by Materials Project

description: Pr is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Pr sites. In the first Pr site, Pr is bonded to twelve Pr atoms to form PrPr12 cuboctahedra that share corners with eighteen PrPr16 cuboctahedra, edges with eighteen PrPr12 cuboctahedra, and faces with twenty PrPr12 cuboctahedra. There are six shorter (3.70 Å) and six longer (3.74 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to twelve Pr atoms to form a mixture of face, edge, and corner-sharing PrPr12 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.74 Å. In the third Pr site, Pr is bonded to twelve Pr atoms to form a mixture of face, edge, and corner-sharing PrPr12 cuboctahedra. All Pr–Pr bond lengths are 3.74 Å. In the fourth Pr site, Pr is bonded to twelve Pr atoms to form PrPr12 cuboctahedra that share corners with fifteen PrPr16 cuboctahedra, edges with twenty-one PrPr16 cuboctahedra, and faces with nineteen PrPr12 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.74 Å. In the fifth Pr site, Pr is bonded to twelve Pr atoms to form a mixture of face, edge, and corner-sharing PrPr12 cuboctahedra. There are three shorter (3.70 Å) and six longer (3.74 Å) Pr–Pr bond lengths. In the sixth Pr site, Pr is bonded to twelve Pr atoms to form PrPr12 cuboctahedra that share corners with twenty PrPr16 cuboctahedra, edges with nineteen PrPr12 cuboctahedra, and faces with twenty-two PrPr12 cuboctahedra. There are three shorter (3.73 Å) and six longer (3.74 Å) Pr–Pr bond lengths. In the seventh Pr site, Pr is bonded to sixteen Pr atoms to form PrPr16 cuboctahedra that share corners with twenty-five PrPr12 cuboctahedra, edges with twenty-one PrPr16 cuboctahedra, and faces with thirty-five PrPr16 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.74–7.49 Å.
DOI: 10.17188/1316359
title: Materials Data on Ho3Zr by Materials Project

description: Ho3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Zr atoms to form HoHo8Zr4 cuboctahedra that share corners with twelve equivalent HoHo8Zr4 cuboctahedra, edges with eight equivalent ZrHo12 cuboctahedra, edges with sixteen equivalent HoHo8Zr4 cuboctahedra, faces with four equivalent ZrHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Zr4 cuboctahedra. All Ho–Ho bond lengths are 3.43 Å. All Ho–Zr bond lengths are 3.43 Å. Zr is bonded to twelve equivalent Ho atoms to form ZrHo12 cuboctahedra that share corners with twelve equivalent ZrHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Zr4 cuboctahedra, faces with six equivalent ZrHo12 cuboctahedra, and faces with twelve equivalent HoHo8Zr4 cuboctahedra.
DOI: 10.17188/1316360
title: Materials Data on PrH3 by Materials Project

description: PrH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to twelve H1- atoms to form a mixture of distorted face, edge, and corner-sharing PrH12 cuboctahedra. There are eight shorter (2.38 Å) and four longer (2.62 Å) Pr–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing HPr4 tetrahedra. In the second H1- site, H1- is bonded in a square co-planar geometry to four equivalent Pr3+ atoms.
DOI: 10.17188/1316361
title: Materials Data on YErTl2 by Materials Project

description: ErYTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Er–Tl bond lengths are 3.28 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.
DOI: 10.17188/1316362
title: Materials Data on Y3Th by Materials Project

description: ThY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Y atoms to form ThY12 cuboctahedra that share corners with six equivalent ThY12 cuboctahedra, corners with twelve equivalent YY8Th4 cuboctahedra, edges with eighteen equivalent YY8Th4 cuboctahedra, faces with eight equivalent ThY12 cuboctahedra, and faces with twelve equivalent YY8Th4 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.62 Å) Th–Y bond lengths. Y is bonded to four equivalent Th and eight equivalent Y atoms to form YY8Th4 cuboctahedra that share corners with four equivalent ThY12 cuboctahedra, corners with fourteen equivalent YY8Th4 cuboctahedra, edges with six equivalent ThY12 cuboctahedra, edges with twelve equivalent YY8Th4 cuboctahedra, faces with four equivalent ThY12 cuboctahedra, and faces with sixteen equivalent YY8Th4 cuboctahedra. There are six shorter (3.59 Å) and two longer (3.65 Å) Y–Y bond lengths.
DOI: 10.17188/1316363
title: Materials Data on RbTmO3 by Materials Project

description: RbTmO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent TmO6 octahedra. All Rb–O bond lengths are 3.15 Å. Tm is bonded to six equivalent O atoms to form TmO6 octahedra that share corners with six equivalent TmO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–O bond lengths are 2.23 Å. O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tm atoms.
DOI: 10.17188/1316364
title: Materials Data on PrGe5 by Materials Project

description: PrGe5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to fourteen Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.14–3.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to three equivalent Pr and five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.56–2.93 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr and eight equivalent Ge atoms.