cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197347
title: Materials Data on CePO4 by Materials Project

description: CePO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.44–3.01 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one P5+ atom.
DOI: 10.17188/1197348
title: Materials Data on ZrCu by Materials Project

description: CuZr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Zr–Cu bond lengths are 2.83 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1197349
title: Materials Data on DyMnSi by Materials Project

description: DyMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to six equivalent Mn and five equivalent Si atoms. There are a spread of Dy–Mn bond distances ranging from 2.96–3.36 Å. There are two shorter (2.94 Å) and three longer (2.98 Å) Dy–Si bond lengths. Mn is bonded in a 4-coordinate geometry to six equivalent Dy and four equivalent Si atoms. There are three shorter (2.47 Å) and one longer (2.72 Å) Mn–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Mn atoms.
DOI: 10.17188/1197350
title: Materials Data on Na3Ir(NO2)6 by Materials Project

description: Ir(Na(NO2)2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three iridium molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of corner and face-sharing NaO6 octahedra. There are three shorter (2.36 Å) and three longer (2.40 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. There are six shorter (2.66 Å) and six longer (2.95 Å) Na–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom.
DOI: 10.17188/1197351
title: Materials Data on HoTiGe by Materials Project

description: HoTiGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are four shorter (2.95 Å) and one longer (3.13 Å) Ho–Ge bond lengths. Ti is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing TiGe4 cuboctahedra. All Ti–Ge bond lengths are 2.76 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Ti atoms.
DOI: 10.17188/1197352
title: Materials Data on V3Pt by Materials Project

description: V3Pt crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Pt atoms. Both V–V bond lengths are 2.41 Å. All V–Pt bond lengths are 2.69 Å. Pt is bonded to twelve equivalent V atoms to form a mixture of edge and face-sharing PtV12 cuboctahedra.
DOI: 10.17188/1197353
title: Materials Data on ErSiRh by Materials Project

description: ErRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Er–Rh bond distances ranging from 2.96–3.29 Å. There are a spread of Er–Si bond distances ranging from 2.95–2.99 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.48–2.59 Å. Si is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Rh atoms.
DOI: 10.17188/1197354
title: Materials Data on TbSbRh by Materials Project

description: TbRhSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Rh and six equivalent Sb atoms. There are a spread of Tb–Rh bond distances ranging from 3.10–3.35 Å. There are a spread of Tb–Sb bond distances ranging from 3.17–3.35 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.66–2.81 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Rh atoms.
DOI: 10.17188/1197355
title: Materials Data on EuGe2 by Materials Project

description: EuGe2 is hexagonal omega structure structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu is bonded to six equivalent Ge atoms to form EuGe6 octahedra that share corners with six equivalent GeEu3Ge3 octahedra, edges with six equivalent EuGe6 octahedra, and edges with six equivalent GeEu3Ge3 octahedra. The corner-sharing octahedral tilt angles are 17°. All Eu–Ge bond lengths are 3.17 Å. Ge is bonded to three equivalent Eu and three equivalent Ge atoms to form distorted GeEu3Ge3 octahedra that share corners with three equivalent EuGe6 octahedra, corners with three equivalent GeEu3Ge3 octahedra, edges with three equivalent EuGe6 octahedra, and edges with nine equivalent GeEu3Ge3 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. All Ge–Ge bond lengths are 2.64 Å.
DOI: 10.17188/1197356
title: Materials Data on GdB2Rh3 by Materials Project

description: GdRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to two equivalent Gd, twelve equivalent Rh, and six equivalent B atoms. Both Gd–Gd bond lengths are 3.13 Å. All Gd–Rh bond lengths are 3.15 Å. All Gd–B bond lengths are 3.15 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Gd and four equivalent B atoms. All Rh–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Rh atoms.
DOI: 10.17188/1197357
title: Materials Data on U(PdS2)2 by Materials Project

description: UPd2S4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.78 Å) and four longer (2.87 Å) U–S bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Pd–S bond lengths. S2- is bonded to two equivalent U4+ and two equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing SU2Pd2 tetrahedra.
DOI: 10.17188/1197358
title: Materials Data on ScCo by Materials Project

description: ScCo1 is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Sc–Co bond lengths are 2.70 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1197359
title: Materials Data on YRh3C by Materials Project

description: YRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Rh atoms to form YRh12 cuboctahedra that share corners with twelve equivalent YRh12 cuboctahedra, faces with six equivalent YRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Y–Rh bond lengths are 2.96 Å. Rh is bonded to four equivalent Y and two equivalent C atoms to form a mixture of distorted edge, corner, and face-sharing RhY4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.09 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent YRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1197360
title: Materials Data on Np(CoGe)2 by Materials Project

description: Np(CoGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Np–Co bond lengths are 3.15 Å. All Np–Ge bond lengths are 3.10 Å. Co is bonded to four equivalent Np and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing CoNp4Ge4 tetrahedra. All Co–Ge bond lengths are 2.33 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Np, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.47 Å.
DOI: 10.17188/1197361
title: Materials Data on U2S3 by Materials Project

description: U2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing US7 pentagonal bipyramids. There are a spread of U–S bond distances ranging from 2.74–2.78 Å. In the second U3+ site, U3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.79–3.31 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five U3+ atoms to form a mixture of distorted edge and corner-sharing SU5 square pyramids. In the second S2- site, S2- is bonded to five U3+ atoms to form a mixture of distorted edge and corner-sharing SU5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five U3+ atoms.
DOI: 10.17188/1197362
title: Materials Data on Yb2Ge2O7 by Materials Project

description: Yb2Ge2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb3+ is bonded to eight O2- atoms to form distorted YbO8 hexagonal bipyramids that share edges with six equivalent YbO8 hexagonal bipyramids and edges with six equivalent GeO6 octahedra. There are two shorter (2.17 Å) and six longer (2.48 Å) Yb–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and edges with six equivalent YbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Ge–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to four equivalent Yb3+ atoms to form corner-sharing OYb4 tetrahedra.
DOI: 10.17188/1197363
title: Materials Data on DyGaPd by Materials Project

description: DyPdGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to five equivalent Pd and six equivalent Ga atoms. There are a spread of Dy–Pd bond distances ranging from 2.91–3.14 Å. There are a spread of Dy–Ga bond distances ranging from 3.09–3.22 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Ga atoms. There are three shorter (2.62 Å) and one longer (2.75 Å) Pd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pd atoms.
DOI: 10.17188/1197365
title: Materials Data on Ti(FeGe)6 by Materials Project

description: TiFe6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti is bonded to eight Ge atoms to form distorted edge-sharing TiGe8 hexagonal bipyramids. There are two shorter (2.67 Å) and six longer (2.87 Å) Ti–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.45–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Ti and six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Ti, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.62 Å.
DOI: 10.17188/1197366
title: Materials Data on SmGa4Co by Materials Project

description: SmCoGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to two equivalent Co and thirteen Ga atoms. Both Sm–Co bond lengths are 3.25 Å. There are a spread of Sm–Ga bond distances ranging from 3.02–3.33 Å. Co is bonded in a 7-coordinate geometry to two equivalent Sm and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.32–2.49 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Sm, three equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–3.03 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Sm, one Co, and eight Ga atoms. All Ga–Ga bond lengths are 2.88 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Sm and six Ga atoms.
DOI: 10.17188/1197367
title: Materials Data on Eu(ZnSi)2 by Materials Project

description: EuZn2Si2 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 Si atoms. All Eu–Zn bond lengths are 3.33 Å. All Eu–Si bond lengths are 3.24 Å. Zn is bonded to four equivalent Eu and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing ZnEu4Si4 tetrahedra. All Zn–Si bond lengths are 2.54 Å. Si is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.37 Å.
DOI: 10.17188/1197368
title: Materials Data on GdCd3 by Materials Project

description: Cd3Gd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to twelve Cd atoms to form GdCd12 cuboctahedra that share corners with six equivalent GdCd12 cuboctahedra, corners with twelve equivalent CdGd4Cd8 cuboctahedra, edges with eighteen CdGd4Cd8 cuboctahedra, faces with eight equivalent GdCd12 cuboctahedra, and faces with twelve CdGd4Cd8 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.33 Å) Gd–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Gd and eight Cd atoms to form distorted CdGd4Cd8 cuboctahedra that share corners with four equivalent GdCd12 cuboctahedra, corners with fourteen equivalent CdGd4Cd8 cuboctahedra, edges with six equivalent GdCd12 cuboctahedra, edges with twelve CdGd4Cd8 cuboctahedra, faces with four equivalent GdCd12 cuboctahedra, and faces with sixteen CdGd4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.13–3.42 Å. In the second Cd site, Cd is bonded to four equivalent Gd and eight equivalent Cd atoms to form distorted CdGd4Cd8 cuboctahedra that share corners with four equivalent GdCd12 cuboctahedra, corners with fourteen CdGd4Cd8 cuboctahedra, edges with six equivalent GdCd12 cuboctahedra, edges with twelve equivalent CdGd4Cd8 cuboctahedra, faces with four equivalent GdCd12 cuboctahedra, and faces with sixteen CdGd4Cd8 cuboctahedra.
DOI: 10.17188/1197369
title: Materials Data on TmMg2 by Materials Project

description: TmMg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Tm atoms to form a mixture of edge, corner, and face-sharing MgTm6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Tm bond lengths are 3.52 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Tm atoms to form a mixture of edge, corner, and face-sharing MgTm6Mg6 cuboctahedra. There are two shorter (2.92 Å) and two longer (3.08 Å) Mg–Mg bond lengths. There are two shorter (3.49 Å) and four longer (3.51 Å) Mg–Tm bond lengths. Tm is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Tm atoms. There are one shorter (3.64 Å) and three longer (3.68 Å) Tm–Tm bond lengths.
DOI: 10.17188/1197370
title: Materials Data on PuPd by Materials Project

description: PuPd is Zintl Phase structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of two PuPd frameworks. Pu is bonded in a 4-coordinate geometry to four equivalent Pd atoms. There are two shorter (2.79 Å) and two longer (2.91 Å) Pu–Pd bond lengths. Pd is bonded in a 4-coordinate geometry to four equivalent Pu atoms.
DOI: 10.17188/1197371
title: Materials Data on BaIn2 by Materials Project

description: BaIn2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve equivalent In atoms. There are a spread of Ba–In bond distances ranging from 3.60–3.96 Å. In is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent In atoms. There are a spread of In–In bond distances ranging from 3.05–3.15 Å.
DOI: 10.17188/1197372
title: Materials Data on SiSe2 by Materials Project

description: SiSe2 is Silicon Disuphide-like structured and crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of two SiSe2 ribbons oriented in the (1, 0, 0) direction. Si4+ is bonded to four equivalent Se2- atoms to form edge-sharing SiSe4 tetrahedra. All Si–Se bond lengths are 2.30 Å. Se2- is bonded in a distorted L-shaped geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1197373
title: Materials Data on Ta2InC by Materials Project

description: Ta2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Ta–In bond lengths are 3.04 Å. All Ta–C bond lengths are 2.19 Å. In is bonded to six equivalent Ta and six equivalent In atoms to form distorted InTa6In6 cuboctahedra that share corners with six equivalent InTa6In6 cuboctahedra, corners with six equivalent CTa6 octahedra, edges with six equivalent InTa6In6 cuboctahedra, edges with six equivalent CTa6 octahedra, and faces with six equivalent InTa6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All In–In bond lengths are 3.17 Å. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent InTa6In6 cuboctahedra, edges with six equivalent InTa6In6 cuboctahedra, and edges with six equivalent CTa6 octahedra.
DOI: 10.17188/1197374
title: Materials Data on Sm3(Ge2Ru)2 by Materials Project

description: Sm3Ru2Ge4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.12–3.42 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to four equivalent Ru and seven Ge atoms. There are a spread of Sm–Ru bond distances ranging from 3.10–3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.01–3.23 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Sm and four Ge atoms. There are three shorter (2.45 Å) and one longer (2.53 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Sm, one Ru, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Sm and three equivalent Ru atoms.
DOI: 10.17188/1197375
title: Materials Data on In3Pd5 by Materials Project

description: In3Pd5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to six In atoms. There are a spread of Pd–In bond distances ranging from 2.75–3.04 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to five In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.86 Å. In the third Pd site, Pd is bonded to six In atoms to form a mixture of distorted corner and edge-sharing PdIn6 cuboctahedra. There are four shorter (2.85 Å) and two longer (2.89 Å) Pd–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to ten Pd atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to eight Pd atoms.
DOI: 10.17188/1197376
title: Materials Data on HfPbS3 by Materials Project

description: PbHfS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded to six S2- atoms to form edge-sharing HfS6 octahedra. There are a spread of Hf–S bond distances ranging from 2.51–2.60 Å. Pb2+ is bonded in a 6-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.73–3.72 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Hf4+ and one Pb2+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ and three equivalent Pb2+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to one Hf4+ and four equivalent Pb2+ atoms.
DOI: 10.17188/1197377
title: Materials Data on DyGeAu by Materials Project

description: DyAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are three shorter (3.01 Å) and three longer (3.35 Å) Dy–Au bond lengths. There are three shorter (3.00 Å) and three longer (3.36 Å) Dy–Ge bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ge atoms. There are three shorter (2.66 Å) and one longer (3.06 Å) Au–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Au atoms.
DOI: 10.17188/1197378
title: Materials Data on ThHg2 by Materials Project

description: ThHg2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are six shorter (3.25 Å) and six longer (3.59 Å) Th–Hg bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Th and four equivalent Hg atoms. There are three shorter (2.91 Å) and one longer (3.14 Å) Hg–Hg bond lengths.