cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195179
title: Materials Data on FeAg2SnS4 by Materials Project

description: FeAg2SnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Fe–S bond lengths are 2.30 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent AgS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Ag–S bond lengths are 2.56 Å. Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Sn–S bond lengths are 2.50 Å. S2- is bonded to one Fe2+, two equivalent Ag1+, and one Sn4+ atom to form corner-sharing SFeAg2Sn tetrahedra.
DOI: 10.17188/1195180
title: Materials Data on Ce(Al2Cu)4 by Materials Project

description: Al8Cu4Ce crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Ce–Cu bond lengths are 3.39 Å. There are four shorter (3.09 Å) and eight longer (3.22 Å) Ce–Al bond lengths. Cu is bonded to two equivalent Ce, two equivalent Cu, and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing CuCe2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.58 Å) and four longer (2.71 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ce, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.76 Å.
DOI: 10.17188/1195181
title: Materials Data on Zr2InC by Materials Project

description: Zr2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Zr–In bond lengths are 3.20 Å. All Zr–C bond lengths are 2.31 Å. In is bonded to six equivalent Zr atoms to form distorted InZr6 cuboctahedra that share corners with six equivalent CZr6 octahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent InZr6 cuboctahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra.
DOI: 10.17188/1195182
title: Materials Data on ZnPb2F6 by Materials Project

description: ZnPb2F6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 0–36°. There are four shorter (2.03 Å) and two longer (2.13 Å) Zn–F bond lengths. Pb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.54–2.87 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Zn2+ and two equivalent Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1195183
title: Materials Data on MnNiGe by Materials Project

description: MnNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn is bonded in a 5-coordinate geometry to six equivalent Ni and five equivalent Ge atoms. There are a spread of Mn–Ni bond distances ranging from 2.79–2.91 Å. There are a spread of Mn–Ge bond distances ranging from 2.54–2.63 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Mn, two equivalent Ni, and four equivalent Ge atoms. Both Ni–Ni bond lengths are 2.64 Å. There are a spread of Ni–Ge bond distances ranging from 2.33–2.40 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Mn and four equivalent Ni atoms.
DOI: 10.17188/1195184
title: Materials Data on NaPr2OsO6 by Materials Project

description: NaPr2OsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 35–40°. There are a spread of Na–O bond distances ranging from 2.30–2.35 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.95 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 35–40°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Pr3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Na1+, two equivalent Pr3+, and one Os5+ atom to form distorted corner-sharing ONaPr2Os trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Pr3+, and one Os5+ atom.
DOI: 10.17188/1195185
title: Materials Data on LaTl3 by Materials Project

description: LaTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Tl atoms to form LaTl12 cuboctahedra that share corners with twelve equivalent LaTl12 cuboctahedra, edges with twenty-four equivalent TlLa4Tl8 cuboctahedra, faces with six equivalent LaTl12 cuboctahedra, and faces with twelve equivalent TlLa4Tl8 cuboctahedra. All La–Tl bond lengths are 3.47 Å. Tl is bonded to four equivalent La and eight equivalent Tl atoms to form distorted TlLa4Tl8 cuboctahedra that share corners with twelve equivalent TlLa4Tl8 cuboctahedra, edges with eight equivalent LaTl12 cuboctahedra, edges with sixteen equivalent TlLa4Tl8 cuboctahedra, faces with four equivalent LaTl12 cuboctahedra, and faces with fourteen equivalent TlLa4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.47 Å.
DOI: 10.17188/1195186
title: Materials Data on DyCuGe by Materials Project

description: DyCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ge atoms. There are three shorter (2.91 Å) and three longer (3.21 Å) Dy–Cu bond lengths. There are three shorter (2.95 Å) and three longer (3.17 Å) Dy–Ge bond lengths. Cu is bonded in a 6-coordinate geometry to six equivalent Dy and four equivalent Ge atoms. There are three shorter (2.51 Å) and one longer (3.15 Å) Cu–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Cu atoms.
DOI: 10.17188/1195187
title: Materials Data on NaSbO3 by Materials Project

description: NaSbO3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.56 Å. Sb5+ is bonded to six equivalent O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sb–O bond lengths are 2.01 Å. O2- is bonded to two equivalent Na1+ and two equivalent Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra.
DOI: 10.5281/zenodo.4477289
title: Annotated and classified variants from patients with MDS/AML detected in seven public datasets

description: 990 unique validated variants from patients with MDS/AML detected in seven public datasets (https://www.ncbi.nlm.nih.gov/bioproject/PRJNA388411). Databases and web services were accessed for variant annotation and classification on September 7, 2020.
DOI: 10.17188/1195188
title: Materials Data on InSb by Materials Project

description: InSb is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. In3+ is bonded to four equivalent Sb3- atoms to form corner-sharing InSb4 tetrahedra. All In–Sb bond lengths are 2.87 Å. Sb3- is bonded to four equivalent In3+ atoms to form corner-sharing SbIn4 tetrahedra.
DOI: 10.5281/zenodo.4477288
title: Annotated and classified variants from patients with MDS/AML detected in seven public datasets

description: 990 unique validated variants from patients with MDS/AML detected in seven public datasets (https://www.ncbi.nlm.nih.gov/bioproject/PRJNA388411). Databases and web services were accessed for variant annotation and classification on September 7, 2020.
DOI: 10.17188/1195189
title: Materials Data on As2PbO6 by Materials Project

description: Pb(As2O6) crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Pb–O bond lengths are 2.58 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent PbO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All As–O bond lengths are 1.87 Å. O2- is bonded in a 2-coordinate geometry to one Pb2+ and two equivalent As5+ atoms.
DOI: 10.17188/1195190
title: Materials Data on K3Ir(NO2)6 by Materials Project

description: KIr(K(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four potassium molecules, and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All K–O bond lengths are 2.69 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 2.14 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent N3+, and one O2- atom. The O–O bond length is 1.32 Å.
DOI: 10.17188/1195191
title: Materials Data on Cu3Sb by Materials Project

description: Cu3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six equivalent Sb3- atoms to form distorted CuSb6 octahedra that share corners with six equivalent CuSb6 octahedra, corners with twenty-four equivalent CuSb4 tetrahedra, edges with twelve equivalent CuSb6 octahedra, and faces with eight equivalent CuSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Sb bond lengths are 3.11 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with twelve equivalent CuSb6 octahedra, corners with sixteen equivalent CuSb4 tetrahedra, edges with six equivalent CuSb4 tetrahedra, and faces with four equivalent CuSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu–Sb bond lengths are 2.70 Å. Sb3- is bonded in a distorted body-centered cubic geometry to fourteen Cu1+ atoms.
DOI: 10.17188/1195192
title: Materials Data on NdCuSb2 by Materials Project

description: NdCuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.24 Å) and four longer (3.34 Å) Nd–Sb bond lengths. Cu1+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.68 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.09 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1195193
title: Materials Data on DySn2 by Materials Project

description: DySn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.16–3.46 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.
DOI: 10.17188/1195194
title: Materials Data on CeGeIr by Materials Project

description: CeIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to six equivalent Ir and six equivalent Ge atoms. There are a spread of Ce–Ir bond distances ranging from 2.92–3.41 Å. There are a spread of Ce–Ge bond distances ranging from 3.07–3.22 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.58–2.79 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ir atoms.
DOI: 10.17188/1195195
title: Materials Data on PrIn by Materials Project

description: Pr(In) is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pr–In bond lengths are 3.38 Å. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1195196
title: Materials Data on LaCuSn by Materials Project

description: LaCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of face and edge-sharing LaCu6Sn6 cuboctahedra. All La–Cu bond lengths are 3.36 Å. All La–Sn bond lengths are 3.36 Å. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.66 Å. Sn is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms.
DOI: 10.17188/1195197
title: Materials Data on Mn(GaS2)2 by Materials Project

description: MnGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.
DOI: 10.17188/1195198
title: Materials Data on FeP2 by Materials Project

description: FeP2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent P+1.50- atoms to form a mixture of edge and corner-sharing FeP6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.24 Å) and four longer (2.25 Å) Fe–P bond lengths. P+1.50- is bonded in a 4-coordinate geometry to three equivalent Fe3+ atoms.
DOI: 10.17188/1195199
title: Materials Data on U2InCo2 by Materials Project

description: U2Co2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Co and four equivalent In atoms. There are two shorter (2.68 Å) and four longer (2.77 Å) U–Co bond lengths. All U–In bond lengths are 3.22 Å. Co is bonded in a 6-coordinate geometry to six equivalent U and two equivalent In atoms. Both Co–In bond lengths are 2.90 Å. In is bonded in a 12-coordinate geometry to eight equivalent U, four equivalent Co, and two equivalent In atoms. Both In–In bond lengths are 3.29 Å.
DOI: 10.17188/1195200
title: Materials Data on SnIr by Materials Project

description: IrSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir is bonded to six equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing IrSn6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ir–Sn bond lengths are 2.73 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms.
DOI: 10.17188/1195201
title: Materials Data on CaPb by Materials Project

description: CaPb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent Pb atoms. All Ca–Pb bond lengths are 3.45 Å. Pb is bonded in a distorted body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1195202
title: Materials Data on Gd3S4 by Materials Project

description: Gd3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Gd is bonded to eight equivalent S atoms to form a mixture of distorted face, edge, and corner-sharing GdS8 hexagonal bipyramids. There are four shorter (2.82 Å) and four longer (3.02 Å) Gd–S bond lengths. S is bonded to six equivalent Gd atoms to form a mixture of distorted face, edge, and corner-sharing SGd6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°.
DOI: 10.17188/1195203
title: Materials Data on PrInRh by Materials Project

description: PrRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.09 Å) and one longer (3.15 Å) Pr–Rh bond lengths. There are two shorter (3.31 Å) and four longer (3.43 Å) Pr–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Rh–In bond lengths are 2.93 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Rh–In bond lengths are 2.80 Å. In is bonded in a 4-coordinate geometry to six equivalent Pr and four Rh atoms.
DOI: 10.17188/1195204
title: Materials Data on Eu(CoP)2 by Materials Project

description: EuCo2P2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Eu–P bond lengths are 3.11 Å. Co2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.21 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Eu2+ and four equivalent Co2+ atoms.
DOI: 10.17188/1195205
title: Materials Data on Cu10Sb3 by Materials Project

description: Cu10Sb3 is beta-derived structured and crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded to nine Cu and three equivalent Sb atoms to form CuCu9Sb3 cuboctahedra that share corners with six equivalent SbCu12 cuboctahedra, corners with twelve CuCu8Sb4 cuboctahedra, edges with six equivalent SbCu12 cuboctahedra, edges with twelve CuCu8Sb4 cuboctahedra, faces with three equivalent SbCu12 cuboctahedra, and faces with seventeen CuCu9Sb3 cuboctahedra. There are six shorter (2.61 Å) and three longer (2.80 Å) Cu–Cu bond lengths. All Cu–Sb bond lengths are 2.76 Å. In the second Cu site, Cu is bonded to eight Cu and four equivalent Sb atoms to form distorted CuCu8Sb4 cuboctahedra that share corners with five equivalent SbCu12 cuboctahedra, corners with thirteen CuCu9Sb3 cuboctahedra, edges with five equivalent SbCu12 cuboctahedra, edges with thirteen CuCu8Sb4 cuboctahedra, faces with four equivalent SbCu12 cuboctahedra, and faces with sixteen CuCu8Sb4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.58–3.04 Å. There are a spread of Cu–Sb bond distances ranging from 2.78–2.83 Å. In the third Cu site, Cu is bonded to eight Cu and four equivalent Sb atoms to form distorted CuCu8Sb4 cuboctahedra that share corners with five equivalent SbCu12 cuboctahedra, corners with thirteen CuCu9Sb3 cuboctahedra, edges with three equivalent SbCu12 cuboctahedra, edges with fifteen CuCu8Sb4 cuboctahedra, faces with four equivalent SbCu12 cuboctahedra, and faces with sixteen CuCu9Sb3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.61–2.88 Å. There are a spread of Cu–Sb bond distances ranging from 2.72–2.82 Å. In the fourth Cu site, Cu is bonded to nine Cu and three equivalent Sb atoms to form distorted CuCu9Sb3 cuboctahedra that share corners with four equivalent SbCu12 cuboctahedra, corners with fourteen CuCu9Sb3 cuboctahedra, edges with four equivalent SbCu12 cuboctahedra, edges with fourteen CuCu9Sb3 cuboctahedra, faces with five equivalent SbCu12 cuboctahedra, and faces with fifteen CuCu9Sb3 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å. There are two shorter (2.75 Å) and one longer (2.90 Å) Cu–Sb bond lengths. Sb is bonded to twelve Cu atoms to form SbCu12 cuboctahedra that share corners with two equivalent SbCu12 cuboctahedra, corners with sixteen CuCu9Sb3 cuboctahedra, edges with four equivalent SbCu12 cuboctahedra, edges with fourteen CuCu9Sb3 cuboctahedra, faces with six equivalent SbCu12 cuboctahedra, and faces with fourteen CuCu9Sb3 cuboctahedra.
DOI: 10.17188/1195206
title: Materials Data on EuBPd3 by Materials Project

description: EuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Pd atoms to form EuPd12 cuboctahedra that share corners with twelve equivalent EuPd12 cuboctahedra, faces with six equivalent EuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Eu–Pd bond lengths are 3.09 Å. Pd is bonded to four equivalent Eu and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdEu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent EuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.