cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310509
title: Materials Data on Dy2Ni7 by Materials Project

description: Dy2Ni7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.84–3.25 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.81–3.10 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.84–3.25 Å. In the fourth Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.84–3.25 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Dy and six equivalent Ni atoms to form NiDy6Ni6 cuboctahedra that share corners with twelve equivalent NiDy5Ni7 cuboctahedra, edges with six equivalent NiDy6Ni6 cuboctahedra, and faces with eighteen equivalent NiDy5Ni7 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and six Ni atoms. There are three shorter (2.42 Å) and three longer (2.44 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to four equivalent Dy and eight Ni atoms to form NiDy4Ni8 cuboctahedra that share corners with sixteen NiDy5Ni7 cuboctahedra, edges with ten NiDy4Ni8 cuboctahedra, and faces with ten NiDy4Ni8 cuboctahedra. All Ni–Dy bond lengths are 3.06 Å. There are two shorter (2.44 Å) and four longer (2.46 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and six Ni atoms. There are three shorter (2.43 Å) and three longer (2.44 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded to four Dy and eight Ni atoms to form a mixture of edge, corner, and face-sharing NiDy4Ni8 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.46 Å) Ni–Ni bond lengths. In the sixth Ni site, Ni is bonded to four Dy and eight Ni atoms to form a mixture of edge, corner, and face-sharing NiDy4Ni8 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.46 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to four Dy and eight Ni atoms to form a mixture of edge, corner, and face-sharing NiDy4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.44 Å. In the eighth Ni site, Ni is bonded to five Dy and seven Ni atoms to form distorted NiDy5Ni7 cuboctahedra that share corners with seventeen NiDy6Ni6 cuboctahedra, edges with eight NiDy4Ni8 cuboctahedra, and faces with fourteen NiDy6Ni6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.47 Å) Ni–Ni bond lengths.
DOI: 10.17188/1310510
title: Materials Data on TmCdRh2 by Materials Project

description: TmRh2Cd 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 Rh atoms. All Tm–Rh bond lengths are 2.86 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Cd atoms. All Rh–Cd bond lengths are 2.86 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310511
title: Materials Data on TmHfOs2 by Materials Project

description: TmHfOs2 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 Os atoms. All Tm–Os bond lengths are 2.86 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Hf–Os bond lengths are 2.86 Å. Os is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Hf atoms.
DOI: 10.17188/1310512
title: Materials Data on TmLuMg2 by Materials Project

description: Mg2LuTm 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 Lu and four equivalent Tm atoms. All Mg–Lu bond lengths are 3.24 Å. All Mg–Tm bond lengths are 3.24 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Tm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1310513
title: Materials Data on TmInRh2 by Materials Project

description: TmRh2In 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 Rh atoms. All Tm–Rh bond lengths are 2.86 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent In atoms. All Rh–In bond lengths are 2.86 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310514
title: Materials Data on Fe3Re by Materials Project

description: ReFe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to twelve Fe atoms to form ReFe12 cuboctahedra that share corners with six equivalent ReFe12 cuboctahedra, corners with twelve equivalent FeFe8Re4 cuboctahedra, edges with eighteen FeFe8Re4 cuboctahedra, faces with eight equivalent ReFe12 cuboctahedra, and faces with twelve FeFe8Re4 cuboctahedra. There are six shorter (2.53 Å) and six longer (2.55 Å) Re–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Re and eight Fe atoms to form FeFe8Re4 cuboctahedra that share corners with four equivalent ReFe12 cuboctahedra, corners with fourteen FeFe8Re4 cuboctahedra, edges with six equivalent ReFe12 cuboctahedra, edges with twelve FeFe8Re4 cuboctahedra, faces with four equivalent ReFe12 cuboctahedra, and faces with sixteen FeFe8Re4 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.61 Å. In the second Fe site, Fe is bonded to four equivalent Re and eight equivalent Fe atoms to form FeFe8Re4 cuboctahedra that share corners with four equivalent ReFe12 cuboctahedra, corners with fourteen FeFe8Re4 cuboctahedra, edges with six equivalent ReFe12 cuboctahedra, edges with twelve equivalent FeFe8Re4 cuboctahedra, faces with four equivalent ReFe12 cuboctahedra, and faces with sixteen FeFe8Re4 cuboctahedra.
DOI: 10.17188/1310515
title: Materials Data on Ba8Bi4H2O by Materials Project

description: Ba8Bi4H2O crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a linear geometry to four equivalent Bi and two equivalent O atoms. All Ba–Bi bond lengths are 3.73 Å. Both Ba–O bond lengths are 2.66 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to five Bi and one O atom. There are one shorter (3.69 Å) and four longer (3.81 Å) Ba–Bi bond lengths. The Ba–O bond length is 3.26 Å. In the third Ba site, Ba is bonded in a 1-coordinate geometry to five Bi and one H atom. There are one shorter (3.58 Å) and four longer (3.83 Å) Ba–Bi bond lengths. The Ba–H bond length is 2.67 Å. In the fourth Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent H atoms. All Ba–Bi bond lengths are 3.80 Å. All Ba–H bond lengths are 2.78 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Ba atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ba atoms. H is bonded to five Ba atoms to form a mixture of distorted edge and corner-sharing HBa5 trigonal bipyramids. O is bonded to six Ba atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1310516
title: Materials Data on Lu2TcAg by Materials Project

description: Lu2TcAg 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 Tc and four equivalent Ag atoms. All Lu–Tc bond lengths are 2.99 Å. All Lu–Ag bond lengths are 2.99 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310517
title: Materials Data on TmHfRu2 by Materials Project

description: TmHfRu2 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 Ru atoms. All Tm–Ru bond lengths are 2.85 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Hf–Ru bond lengths are 2.85 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Hf atoms.
DOI: 10.17188/1310518
title: Materials Data on Dy2PdRu by Materials Project

description: Dy2RuPd 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 four equivalent Ru and four equivalent Pd atoms. All Dy–Ru bond lengths are 2.99 Å. All Dy–Pd bond lengths are 2.99 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310519
title: Materials Data on YbThRh2 by Materials Project

description: ThYbRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Th–Rh bond lengths are 3.01 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Yb–Rh bond lengths are 3.01 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Yb atoms.
DOI: 10.17188/1310520
title: Materials Data on YbTiO3 by Materials Project

description: YbTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Yb–O bond lengths are 2.72 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb2+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1310521
title: Materials Data on Dy2IrRu by Materials Project

description: Dy2RuIr 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 four equivalent Ru and four equivalent Ir atoms. All Dy–Ru bond lengths are 2.96 Å. All Dy–Ir bond lengths are 2.96 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310522
title: Materials Data on Dy2CuRu by Materials Project

description: Dy2RuCu 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 four equivalent Ru and four equivalent Cu atoms. All Dy–Ru bond lengths are 2.97 Å. All Dy–Cu bond lengths are 2.97 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310523
title: Materials Data on Dy2IrPd by Materials Project

description: Dy2IrPd 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 four equivalent Ir and four equivalent Pd atoms. All Dy–Ir bond lengths are 3.00 Å. All Dy–Pd bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310524
title: Materials Data on Dy2RuRh by Materials Project

description: Dy2RuRh 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 four equivalent Ru and four equivalent Rh atoms. All Dy–Ru bond lengths are 2.95 Å. All Dy–Rh bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.5281/zenodo.4482096
title: LOTOS code for tomographic inversion in the Red Sea area

description: This file contains the full LOTOS code folder with data corresponding to seismic networks and seismicity in Egypt and Saudi Arabia. Following the appended ReadMe file, one can reproduce all the results results presented in the paper by <strong>Sami El Khrepy, Ivan Koulakov, Taras Gerya, Nassir Al-Arifi, Mamdouh S. Alajmi and Ayman N. Qadrouh, “Transition from continental rifting to oceanic spreading in the northern Red Sea area” </strong>submitted to Scientific Reports. This version of the code is suitable for the Windows OS only.
DOI: 10.17188/1310525
title: Materials Data on LuMgCd2 by Materials Project

description: MgLuCd2 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 Cd atoms. All Mg–Cd bond lengths are 3.09 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Lu–Cd bond lengths are 3.09 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Lu atoms.
DOI: 10.5281/zenodo.4482095
title: LOTOS code for tomographic inversion in the Red Sea area

description: This file contains the full LOTOS code folder with data corresponding to seismic networks and seismicity in Egypt and Saudi Arabia. Following the appended ReadMe file, one can reproduce all the results results presented in the paper by <strong>Sami El Khrepy, Ivan Koulakov, Taras Gerya, Nassir Al-Arifi, Mamdouh S. Alajmi and Ayman N. Qadrouh, “Transition from continental rifting to oceanic spreading in the northern Red Sea area” </strong>submitted to Scientific Reports. This version of the code is suitable for the Windows OS only.
DOI: 10.17188/1310526
title: Materials Data on Th2BiTe by Materials Project

description: Th2BiTe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to four equivalent Bi and four equivalent Te atoms. All Th–Bi bond lengths are 3.37 Å. All Th–Te bond lengths are 3.37 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Th atoms. Te is bonded in a body-centered cubic geometry to eight equivalent Th atoms.
DOI: 10.17188/1310527
title: Materials Data on TmMgAu2 by Materials Project

description: MgTmAu2 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 2.98 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Tm–Au bond lengths are 2.98 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms.
DOI: 10.17188/1310528
title: Materials Data on LuMgHg2 by Materials Project

description: MgLuHg2 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 Hg atoms. All Mg–Hg bond lengths are 3.08 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Lu–Hg bond lengths are 3.08 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Lu atoms.
DOI: 10.17188/1310529
title: Materials Data on TmMgCd2 by Materials Project

description: MgTmCd2 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 Cd atoms. All Mg–Cd bond lengths are 3.11 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Tm–Cd bond lengths are 3.11 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms.
DOI: 10.17188/1310530
title: Materials Data on LiScPt2 by Materials Project

description: LiScPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Li–Pt bond lengths are 2.74 Å. Sc3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Sc–Pt bond lengths are 2.74 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Sc3+ atoms.
DOI: 10.17188/1310531
title: Materials Data on Be2NiIr by Materials Project

description: Be2IrNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Be–Ir bond lengths are 2.35 Å. All Be–Ni bond lengths are 2.35 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Be atoms. Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Be atoms.
DOI: 10.17188/1310532
title: Materials Data on TmMgRh2 by Materials Project

description: MgTmRh2 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 Rh atoms. All Mg–Rh bond lengths are 2.82 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Tm–Rh bond lengths are 2.82 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms.
DOI: 10.17188/1310533
title: Materials Data on LiScTl2 by Materials Project

description: LiScTl2 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 Tl atoms. All Li–Tl bond lengths are 3.09 Å. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Sc–Tl bond lengths are 3.09 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.
DOI: 10.17188/1310534
title: Materials Data on TlPd2Au by Materials Project

description: Pd2AuTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Tl atoms. All Pd–Au bond lengths are 2.85 Å. All Pd–Tl bond lengths are 2.85 Å. Au is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Tl atoms. All Au–Tl bond lengths are 3.30 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Au atoms.
DOI: 10.17188/1310535
title: Materials Data on TmMgZn2 by Materials Project

description: MgTmZn2 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 Zn atoms. All Mg–Zn bond lengths are 2.94 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Tm–Zn bond lengths are 2.94 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms.
DOI: 10.17188/1310551
title: Materials Data on TaZnRu2 by Materials Project

description: TaRu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.68 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Zn atoms. All Ru–Zn bond lengths are 2.68 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1310552
title: Materials Data on Ti6Al16Ni7 by Materials Project

description: Ti6Ni7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Ni, and eight Al atoms. All Ti–Ti bond lengths are 3.04 Å. All Ti–Ni bond lengths are 3.06 Å. There are four shorter (2.72 Å) and four longer (3.07 Å) Ti–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.41 Å) and four longer (2.60 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.43 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Ti and four Ni atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Ni4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ti and three equivalent Ni atoms.
DOI: 10.17188/1310553
title: Materials Data on Tm2ZnOs by Materials Project

description: Tm2OsZn 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 four equivalent Os and four equivalent Zn atoms. All Tm–Os bond lengths are 2.97 Å. All Tm–Zn bond lengths are 2.97 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310554
title: Materials Data on Tm2ZnIr by Materials Project

description: Tm2IrZn 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 four equivalent Ir and four equivalent Zn atoms. All Tm–Ir bond lengths are 2.98 Å. All Tm–Zn bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310555
title: Materials Data on Lu2MgAl by Materials Project

description: MgLu2Al 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 Lu atoms. All Mg–Lu bond lengths are 3.12 Å. Lu is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Lu–Al bond lengths are 3.12 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310556
title: Materials Data on UF3 by Materials Project

description: UF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U3+ is bonded to twelve F1- atoms to form a mixture of corner, edge, and face-sharing UF12 cuboctahedra. There are eight shorter (2.55 Å) and four longer (2.63 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent U3+ atoms. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent U3+ atoms.