cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316472
title: Materials Data on Sr(AsO3)2 by Materials Project

description: SrAs2O6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sr–O bond lengths are 2.54 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent SrO6 pentagonal pyramids and edges with three equivalent AsO6 octahedra. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent As5+ atoms.
DOI: 10.17188/1316473
title: Materials Data on K3Cd by Materials Project

description: K3Cd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing KK4Cd4 tetrahedra. All K–K bond lengths are 4.06 Å. All K–Cd bond lengths are 4.06 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1316474
title: Materials Data on PmSmHg2 by Materials Project

description: SmPmHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sm–Hg bond lengths are 3.30 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pm–Hg bond lengths are 3.30 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Pm atoms.
DOI: 10.17188/1316475
title: Materials Data on LaGaO3 by Materials Project

description: LaGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one gallium molecule and one LaO3 framework. In the LaO3 framework, La3+ is bonded to six equivalent O2- atoms to form corner-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.30 Å. O2- is bonded in a linear geometry to two equivalent La3+ atoms.
DOI: 10.17188/1316476
title: Materials Data on HfMgAu2 by Materials Project

description: MgHfAu2 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 eight equivalent Au atoms. All Mg–Au bond lengths are 2.90 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Hf–Au bond lengths are 2.90 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Hf atoms.
DOI: 10.17188/1316477
title: Materials Data on HoTmZn2 by Materials Project

description: TmHoZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Tm–Zn bond lengths are 3.07 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ho–Zn bond lengths are 3.07 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Ho atoms.
DOI: 10.17188/1316478
title: Materials Data on Li3Re by Materials Project

description: Li3Re is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted see-saw-like geometry to four equivalent Re atoms. There are two shorter (2.71 Å) and two longer (2.73 Å) Li–Re bond lengths. Re is bonded to twelve equivalent Li atoms to form a mixture of face and corner-sharing ReLi12 cuboctahedra.
DOI: 10.17188/1316479
title: Materials Data on Pm2ZnPt by Materials Project

description: Pm2PtZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Zn atoms. All Pm–Pt bond lengths are 3.14 Å. All Pm–Zn bond lengths are 3.14 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1316480
title: Materials Data on SrEu2Al2O7 by Materials Project

description: Eu2SrAl2O7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are four shorter (2.66 Å) and eight longer (2.76 Å) Sr–O bond lengths. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.34–2.68 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with five equivalent AlO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There is five shorter (1.89 Å) and one longer (2.09 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OSr4Al2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded to five equivalent Eu3+ and one Al3+ atom to form distorted OEu5Al octahedra that share corners with five OSr4Al2 octahedra and edges with eight equivalent OEu5Al octahedra. The corner-sharing octahedra tilt angles range from 0–15°.
DOI: 10.17188/1316481
title: Materials Data on Pm2ZnRh by Materials Project

description: Pm2RhZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Zn atoms. All Pm–Rh bond lengths are 3.11 Å. All Pm–Zn bond lengths are 3.11 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1316482
title: Materials Data on Ga3B by Materials Project

description: Ga3B is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga is bonded to eight equivalent Ga and four equivalent B atoms to form GaGa8B4 cuboctahedra that share corners with twelve equivalent GaGa8B4 cuboctahedra, edges with eight equivalent BGa12 cuboctahedra, edges with sixteen equivalent GaGa8B4 cuboctahedra, faces with four equivalent BGa12 cuboctahedra, and faces with fourteen equivalent GaGa8B4 cuboctahedra. All Ga–Ga bond lengths are 2.80 Å. All Ga–B bond lengths are 2.80 Å. B is bonded to twelve equivalent Ga atoms to form BGa12 cuboctahedra that share corners with twelve equivalent BGa12 cuboctahedra, edges with twenty-four equivalent GaGa8B4 cuboctahedra, faces with six equivalent BGa12 cuboctahedra, and faces with twelve equivalent GaGa8B4 cuboctahedra.
DOI: 10.17188/1316483
title: Materials Data on Sm2Ge5Ir3 by Materials Project

description: Sm2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Sm–Ir bond distances ranging from 3.16–3.56 Å. There are a spread of Sm–Ge bond distances ranging from 3.00–3.37 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Sm and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.41–2.54 Å. In the second Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Sm and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.67 Å) Ir–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sm, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Ir, and two equivalent Ge atoms.
DOI: 10.17188/1316484
title: Materials Data on Pm2ZnOs by Materials Project

description: Pm2OsZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Zn atoms. All Pm–Os bond lengths are 3.09 Å. All Pm–Zn bond lengths are 3.09 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1316485
title: Materials Data on Ga3Bi by Materials Project

description: Ga3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga is bonded in a square co-planar geometry to four equivalent Bi atoms. All Ga–Bi bond lengths are 3.20 Å. Bi is bonded to twelve equivalent Ga atoms to form a mixture of face and corner-sharing BiGa12 cuboctahedra.
DOI: 10.17188/1316486
title: Materials Data on PrGaO3 by Materials Project

description: PrGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one gallium molecule and one PrO3 framework. In the PrO3 framework, Pr3+ is bonded to six equivalent O2- atoms to form corner-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–O bond lengths are 2.30 Å. O2- is bonded in a linear geometry to two equivalent Pr3+ atoms.
DOI: 10.17188/1316487
title: Materials Data on TmLuRu2 by Materials Project

description: LuTmRu2 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 Ru atoms. All Lu–Ru bond lengths are 2.90 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Tm–Ru bond lengths are 2.90 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tm atoms.
DOI: 10.17188/1316488
title: Materials Data on KH4O2F by Materials Project

description: KH4O2F crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one KH4O2F sheet oriented in the (0, 1, 0) direction. K1+ is bonded to four O2- and two equivalent F1- atoms to form a mixture of edge and corner-sharing KO4F2 octahedra. The corner-sharing octahedral tilt angles are 69°. There are a spread of K–O bond distances ranging from 2.74–2.82 Å. Both K–F bond lengths are 2.76 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+ and two H1+ atoms. F1- is bonded in a 2-coordinate geometry to two equivalent K1+ atoms.
DOI: 10.17188/1316489
title: Materials Data on H3F2 by Materials Project

description: H2(HF)4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hydrogen molecule and two hydrogen fluoride hydrogen fluoride molecules.
DOI: 10.17188/1316490
title: Materials Data on HfAlFe2 by Materials Project

description: HfFe2Al 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 eight equivalent Fe atoms. All Hf–Fe bond lengths are 2.61 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Fe–Al bond lengths are 2.61 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Fe atoms.
DOI: 10.17188/1316491
title: Materials Data on GaSi3 by Materials Project

description: GaSi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ga is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Ga–Si bond lengths are 2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to four equivalent Ga and four equivalent Si atoms. All Si–Si bond lengths are 2.74 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.
DOI: 10.17188/1316492
title: Materials Data on K3Hg by Materials Project

description: (K)3Hg crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two hydrargyrum molecules and six kalium molecules.
DOI: 10.17188/1316493
title: Materials Data on K3Hg by Materials Project

description: K3Hg is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent K and four equivalent Hg atoms. All K–K bond lengths are 4.05 Å. All K–Hg bond lengths are 4.05 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1316494
title: Materials Data on NdGaO3 by Materials Project

description: NdGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one gallium molecule and one NdO3 framework. In the NdO3 framework, Nd3+ is bonded to six equivalent O2- atoms to form corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.28 Å. O2- is bonded in a linear geometry to two equivalent Nd3+ atoms.
DOI: 10.17188/1316495
title: Materials Data on HPd3 by Materials Project

description: (Pd)6H2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional and consists of two hydrogen molecules and one Pd framework. In the Pd framework, Pd is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. There are a spread of Pd–Pd bond distances ranging from 2.64–2.90 Å.
DOI: 10.17188/1316496
title: Materials Data on Ho2MnOs by Materials Project

description: Ho2MnOs 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 four equivalent Mn and four equivalent Os atoms. All Ho–Mn bond lengths are 2.99 Å. All Ho–Os bond lengths are 2.99 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ho and six equivalent Os atoms. All Mn–Os bond lengths are 3.46 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ho and six equivalent Mn atoms.
DOI: 10.17188/1316497
title: Materials Data on Ho2CuPd by Materials Project

description: Ho2PdCu 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 four equivalent Pd and four equivalent Cu atoms. All Ho–Pd bond lengths are 3.00 Å. All Ho–Cu bond lengths are 3.00 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1316498
title: Materials Data on Lu(Mg4Al3)4 by Materials Project

description: Lu(Mg4Al3)4 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 10-coordinate geometry to three equivalent Mg, one Lu, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.03 Å. The Mg–Lu bond length is 3.24 Å. All Mg–Al bond lengths are 3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.11 Å) and four longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.87–3.17 Å. Lu is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Lu–Al bond lengths are 3.21 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Lu, and three equivalent Al atoms. There are one shorter (2.69 Å) and two longer (2.77 Å) Al–Al bond lengths.
DOI: 10.17188/1316499
title: Materials Data on Ga3Au by Materials Project

description: AuGa3 is alpha bismuth trifluoride 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 Ga atoms. All Au–Ga bond lengths are 2.89 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Au and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.89 Å. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms.
DOI: 10.17188/1316500
title: Materials Data on Li2PmGe by Materials Project

description: Li2PmGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Ge atoms. All Li–Pm bond lengths are 2.85 Å. All Li–Ge bond lengths are 2.85 Å. Pm is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ge atoms. All Pm–Ge bond lengths are 3.29 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Pm atoms.
DOI: 10.17188/1316501
title: Materials Data on PmDyCu2 by Materials Project

description: DyPmCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Dy–Cu bond lengths are 3.04 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Pm–Cu bond lengths are 3.04 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.
DOI: 10.17188/1316502
title: Materials Data on PmDyHg2 by Materials Project

description: DyPmHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Dy–Hg bond lengths are 3.27 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pm–Hg bond lengths are 3.27 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.
DOI: 10.17188/1316503
title: Materials Data on PmDyIn2 by Materials Project

description: DyPmIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Dy–In bond lengths are 3.30 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pm–In bond lengths are 3.30 Å. In is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.
DOI: 10.17188/1316504
title: Materials Data on HfZnPt2 by Materials Project

description: HfPt2Zn 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 eight equivalent Pt atoms. All Hf–Pt bond lengths are 2.79 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Zn atoms. All Pt–Zn bond lengths are 2.79 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.
DOI: 10.17188/1316505
title: Materials Data on LiPmZn2 by Materials Project

description: LiPmZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Li–Zn bond lengths are 2.98 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pm–Zn bond lengths are 2.98 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pm atoms.
DOI: 10.17188/1316506
title: Materials Data on Na3Pt by Materials Project

description: Na3Pt crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a distorted see-saw-like geometry to four equivalent Pt atoms. There are two shorter (3.10 Å) and two longer (3.19 Å) Na–Pt bond lengths. Pt is bonded to twelve equivalent Na atoms to form a mixture of corner and face-sharing PtNa12 cuboctahedra.
DOI: 10.17188/1316507
title: Materials Data on Rb3Pm by Materials Project

description: Rb3Pm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Pm atoms. All Rb–Rb bond lengths are 4.45 Å. All Rb–Pm bond lengths are 4.45 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Pm is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1316508
title: Materials Data on Tl3Cl by Materials Project

description: (Tl)6Cl2 crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules and six thallium molecules.
DOI: 10.17188/1316509
title: Materials Data on HfZr by Materials Project

description: HfZr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Hf is bonded to six equivalent Hf and six equivalent Zr atoms to form HfHf6Zr6 cuboctahedra that share corners with eighteen equivalent HfHf6Zr6 cuboctahedra, edges with six equivalent HfHf6Zr6 cuboctahedra, edges with twelve equivalent ZrHf6Zr6 cuboctahedra, faces with eight equivalent HfHf6Zr6 cuboctahedra, and faces with twelve equivalent ZrHf6Zr6 cuboctahedra. All Hf–Hf bond lengths are 3.22 Å. All Hf–Zr bond lengths are 3.17 Å. Zr is bonded to six equivalent Hf and six equivalent Zr atoms to form ZrHf6Zr6 cuboctahedra that share corners with eighteen equivalent ZrHf6Zr6 cuboctahedra, edges with six equivalent ZrHf6Zr6 cuboctahedra, edges with twelve equivalent HfHf6Zr6 cuboctahedra, faces with eight equivalent ZrHf6Zr6 cuboctahedra, and faces with twelve equivalent HfHf6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.22 Å.
DOI: 10.17188/1316510
title: Materials Data on Sm3Si by Materials Project

description: Sm3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are two shorter (3.16 Å) and two longer (3.44 Å) Sm–Si bond lengths. Si is bonded to twelve equivalent Sm atoms to form a mixture of face and corner-sharing SiSm12 cuboctahedra.