cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187625
title: Materials Data on VAuS2 by Materials Project

description: VAuS2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V5+ is bonded to six equivalent S2- atoms to form distorted edge-sharing VS6 pentagonal pyramids. All V–S bond lengths are 2.35 Å. Au1- is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.37 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent V5+ and one Au1- atom.
DOI: 10.17188/1187626
title: Materials Data on NdMgNi4 by Materials Project

description: NdMgNi4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Nd and twelve equivalent Ni atoms. All Mg–Nd bond lengths are 3.07 Å. All Mg–Ni bond lengths are 2.93 Å. Nd is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All Nd–Ni bond lengths are 2.94 Å. Ni is bonded to three equivalent Mg, three equivalent Nd, and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiNd3Mg3Ni6 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.53 Å) Ni–Ni bond lengths.
DOI: 10.17188/1187627
title: Materials Data on Y by Materials Project

description: Y is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to twelve equivalent Y atoms to form a mixture of edge, face, and corner-sharing YY12 cuboctahedra. There are six shorter (3.53 Å) and six longer (3.66 Å) Y–Y bond lengths.
DOI: 10.17188/1187628
title: Materials Data on Mo3Ir by Materials Project

description: Mo3Ir crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Mo is bonded in a 6-coordinate geometry to two equivalent Mo and four equivalent Ir atoms. Both Mo–Mo bond lengths are 2.50 Å. All Mo–Ir bond lengths are 2.80 Å. Ir is bonded to twelve equivalent Mo atoms to form a mixture of edge and face-sharing IrMo12 cuboctahedra.
DOI: 10.17188/1187629
title: Materials Data on LaMg2Ni by Materials Project

description: LaMg2Ni crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni atoms. There are two shorter (2.76 Å) and one longer (2.84 Å) Mg–Ni bond lengths. La is bonded in a 3-coordinate geometry to three equivalent Ni atoms. There are one shorter (2.91 Å) and two longer (3.02 Å) La–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent La atoms.
DOI: 10.17188/1187631
title: Materials Data on Y6FeSb2 by Materials Project

description: Y6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Y–Fe bond lengths are 2.83 Å. Both Y–Sb bond lengths are 3.23 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Y–Fe bond length is 3.28 Å. All Y–Sb bond lengths are 3.26 Å. Fe is bonded in a 9-coordinate geometry to nine Y atoms. Sb is bonded in a 9-coordinate geometry to nine Y atoms.
DOI: 10.17188/1187632
title: Materials Data on Lu6FeSb2 by Materials Project

description: Lu6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Lu–Fe bond lengths are 2.76 Å. Both Lu–Sb bond lengths are 3.15 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Lu–Fe bond length is 3.12 Å. All Lu–Sb bond lengths are 3.21 Å. Fe is bonded in a 9-coordinate geometry to nine Lu atoms. Sb is bonded in a 9-coordinate geometry to nine Lu atoms.
DOI: 10.17188/1187633
title: Materials Data on Tm6FeSb2 by Materials Project

description: Tm6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Tm–Fe bond lengths are 2.79 Å. Both Tm–Sb bond lengths are 3.18 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Tm–Fe bond length is 3.19 Å. All Tm–Sb bond lengths are 3.22 Å. Fe is bonded in a 9-coordinate geometry to nine Tm atoms. Sb is bonded in a 9-coordinate geometry to nine Tm atoms.
DOI: 10.17188/1187634
title: Materials Data on LiTi(SiO3)2 by Materials Project

description: LiTiSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with four equivalent SiO4 tetrahedra, edges with three equivalent TiO6 octahedra, and edges with two equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.10–2.37 Å. Ti3+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent SiO4 tetrahedra, edges with two equivalent TiO6 octahedra, and edges with three equivalent LiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.97–2.13 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with three equivalent TiO6 octahedra, corners with two equivalent SiO4 tetrahedra, and an edgeedge with one LiO6 octahedra. The corner-sharing octahedra tilt angles range from 29–61°. There is one shorter (1.61 Å) and three longer (1.65 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ti3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Ti3+, and one Si4+ atom.
DOI: 10.17188/1187635
title: Materials Data on Pr3ReO7 by Materials Project

description: Pr3ReO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share corners with two equivalent ReO6 octahedra, corners with three equivalent PrO7 pentagonal bipyramids, edges with two equivalent ReO6 octahedra, and edges with two equivalent PrO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are a spread of Pr–O bond distances ranging from 2.33–2.63 Å. In the second Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.78 Å) Pr–O bond lengths. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra, corners with four equivalent PrO7 pentagonal bipyramids, and edges with four equivalent PrO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are four shorter (1.99 Å) and two longer (2.01 Å) Re–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Re5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and two equivalent Re5+ atoms.
DOI: 10.17188/1187636
title: Materials Data on AlAs by Materials Project

description: AlAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded to six equivalent As3- atoms to form a mixture of edge, corner, and face-sharing AlAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Al–As bond lengths are 2.65 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Al3+ atoms.
DOI: 10.17188/1187637
title: Materials Data on GaCo by Materials Project

description: CoGa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.50 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Co atoms.
DOI: 10.17188/1187638
title: Materials Data on LaAsPd by Materials Project

description: LaPdAs 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 Pd and six equivalent As atoms to form a mixture of face and edge-sharing LaAs6Pd6 cuboctahedra. All La–Pd bond lengths are 3.25 Å. All La–As bond lengths are 3.25 Å. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. All Pd–As bond lengths are 2.56 Å. As is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.
DOI: 10.17188/1187639
title: Materials Data on BaAgSb by Materials Project

description: BaSbAg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional and consists of two silver molecules and one BaSb framework. In the BaSb framework, Ba2+ is bonded to five equivalent Sb3- atoms to form a mixture of edge and corner-sharing BaSb5 trigonal bipyramids. There are three shorter (3.33 Å) and two longer (3.48 Å) Ba–Sb bond lengths. Sb3- is bonded to five equivalent Ba2+ atoms to form a mixture of edge and corner-sharing SbBa5 trigonal bipyramids.
DOI: 10.17188/1187640
title: Materials Data on CaAgSb by Materials Project

description: CaAgSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to five equivalent Sb3- atoms to form distorted CaSb5 square pyramids that share corners with eight equivalent CaSb5 square pyramids, corners with eight equivalent AgSb4 tetrahedra, edges with six equivalent CaSb5 square pyramids, and edges with six equivalent AgSb4 tetrahedra. There are a spread of Ca–Sb bond distances ranging from 3.20–3.31 Å. Ag1+ is bonded to four equivalent Sb3- atoms to form AgSb4 tetrahedra that share corners with eight equivalent CaSb5 square pyramids, corners with eight equivalent AgSb4 tetrahedra, edges with six equivalent CaSb5 square pyramids, and edges with two equivalent AgSb4 tetrahedra. There are three shorter (2.88 Å) and one longer (3.01 Å) Ag–Sb bond lengths. Sb3- is bonded in a 9-coordinate geometry to five equivalent Ca2+ and four equivalent Ag1+ atoms.
DOI: 10.17188/1187641
title: Materials Data on CeAgGe by Materials Project

description: CeAgGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded to six equivalent Ag and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing CeAg6Ge6 cuboctahedra. There are three shorter (3.17 Å) and three longer (3.33 Å) Ce–Ag bond lengths. There are three shorter (3.13 Å) and three longer (3.37 Å) Ce–Ge bond lengths. Ag is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ag–Ge bond lengths are 2.66 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ag atoms.
DOI: 10.17188/1187642
title: Materials Data on SrAgSb by Materials Project

description: SrSbAg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional and consists of two silver molecules and one SrSb framework. In the SrSb framework, Sr2+ is bonded to five equivalent Sb3- atoms to form a mixture of corner and edge-sharing SrSb5 trigonal bipyramids. There are three shorter (3.19 Å) and two longer (3.29 Å) Sr–Sb bond lengths. Sb3- is bonded to five equivalent Sr2+ atoms to form a mixture of corner and edge-sharing SbSr5 trigonal bipyramids.
DOI: 10.17188/1187643
title: Materials Data on LuB2 by Materials Project

description: LuB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing LuB12 cuboctahedra. All Lu–B bond lengths are 2.64 Å. B is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent B atoms. All B–B bond lengths are 1.87 Å.
DOI: 10.17188/1187644
title: Materials Data on Sc2Al by Materials Project

description: AlSc2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent Al atoms. There are two shorter (3.09 Å) and six longer (3.22 Å) Sc–Sc bond lengths. All Sc–Al bond lengths are 3.22 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent Al atoms to form a mixture of distorted face and corner-sharing ScSc6Al5 trigonal bipyramids. There are three shorter (2.83 Å) and two longer (3.09 Å) Sc–Al bond lengths. Al is bonded in a 11-coordinate geometry to eleven Sc atoms.
DOI: 10.17188/1187645
title: Materials Data on SmAl by Materials Project

description: SmAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Sm–Al bond lengths are 3.18 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1187646
title: Materials Data on Sm3Al by Materials Project

description: Sm3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Al atoms to form distorted SmSm8Al4 cuboctahedra that share corners with twelve equivalent SmSm8Al4 cuboctahedra, edges with eight equivalent AlSm12 cuboctahedra, edges with sixteen equivalent SmSm8Al4 cuboctahedra, faces with four equivalent AlSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Al4 cuboctahedra. All Sm–Sm bond lengths are 3.43 Å. All Sm–Al bond lengths are 3.43 Å. Al is bonded to twelve equivalent Sm atoms to form AlSm12 cuboctahedra that share corners with twelve equivalent AlSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Al4 cuboctahedra, faces with six equivalent AlSm12 cuboctahedra, and faces with twelve equivalent SmSm8Al4 cuboctahedra.
DOI: 10.17188/1187647
title: Materials Data on Sr8Al7 by Materials Project

description: Sr8Al7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six Al atoms. There are three shorter (3.47 Å) and three longer (3.48 Å) Sr–Al bond lengths. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six Al atoms. There are three shorter (3.48 Å) and three longer (3.55 Å) Sr–Al bond lengths. In the third Sr site, Sr is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Sr–Al bond distances ranging from 3.34–3.62 Å. In the fourth Sr site, Sr is bonded in a 6-coordinate geometry to six Al atoms. There are a spread of Sr–Al bond distances ranging from 3.34–3.63 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Sr and three equivalent Al atoms. All Al–Al bond lengths are 2.75 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to six Sr and three Al atoms. Both Al–Al bond lengths are 2.71 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to seven Sr and two equivalent Al atoms. Both Al–Al bond lengths are 2.70 Å.
DOI: 10.17188/1187648
title: Materials Data on TbAl by Materials Project

description: TbAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Tb–Al bond distances ranging from 3.08–3.40 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Tb–Al bond distances ranging from 3.08–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Tb and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlTb8Al4 cuboctahedra. There are two shorter (2.74 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Tb and two equivalent Al atoms.
DOI: 10.17188/1187649
title: Materials Data on Tb3Al by Materials Project

description: Tb3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to eight equivalent Tb and four equivalent Al atoms to form distorted TbTb8Al4 cuboctahedra that share corners with twelve equivalent TbTb8Al4 cuboctahedra, edges with eight equivalent AlTb12 cuboctahedra, edges with sixteen equivalent TbTb8Al4 cuboctahedra, faces with four equivalent AlTb12 cuboctahedra, and faces with fourteen equivalent TbTb8Al4 cuboctahedra. All Tb–Tb bond lengths are 3.38 Å. All Tb–Al bond lengths are 3.38 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, edges with twenty-four equivalent TbTb8Al4 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with twelve equivalent TbTb8Al4 cuboctahedra.
DOI: 10.17188/1187650
title: Materials Data on Al12W by Materials Project

description: Al12W is Tungsten structured and crystallizes in the cubic Im-3 space group. The structure is zero-dimensional and consists of two Al12W clusters. W is bonded in a cuboctahedral geometry to twelve equivalent Al atoms. All W–Al bond lengths are 2.74 Å. Al is bonded in a distorted single-bond geometry to one W atom.
DOI: 10.17188/1187651
title: Materials Data on YAl by Materials Project

description: YAl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven equivalent Al atoms. There are a spread of Y–Al bond distances ranging from 3.09–3.24 Å. Al is bonded in a 9-coordinate geometry to seven equivalent Y and two equivalent Al atoms. Both Al–Al bond lengths are 2.76 Å.
DOI: 10.17188/1187652
title: Materials Data on YAl by Materials Project

description: YAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Y–Al bond lengths are 3.12 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1187653
title: Materials Data on HgS by Materials Project

description: HgS is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form corner-sharing HgS4 tetrahedra. All Hg–S bond lengths are 2.60 Å. S2- is bonded to four equivalent Hg2+ atoms to form corner-sharing SHg4 tetrahedra.
DOI: 10.17188/1187654
title: Materials Data on Y2Al by Materials Project

description: AlY2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Y–Al bond distances ranging from 3.07–3.47 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to five equivalent Al atoms. There are a spread of Y–Al bond distances ranging from 3.16–3.57 Å. Al is bonded in a 10-coordinate geometry to ten Y atoms.
DOI: 10.6084/m9.figshare.1434640
title: Scientific Data recommended repositories

description: Spreadsheet listing data repositories that are recommended by Scientific Data (Springer Nature) as being suitable for hosting data associated with peer-reviewed articles. Please see the repository list on Scientific Data's website for the most up to date list.
DOI: 10.17188/1187655
title: Materials Data on YAl3 by Materials Project

description: Al3Y is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Al atoms to form YAl12 cuboctahedra that share corners with twelve equivalent YAl12 cuboctahedra, edges with twenty-four equivalent AlY4Al8 cuboctahedra, faces with six equivalent YAl12 cuboctahedra, and faces with twelve equivalent AlY4Al8 cuboctahedra. All Y–Al bond lengths are 3.01 Å. Al is bonded to four equivalent Y and eight equivalent Al atoms to form distorted AlY4Al8 cuboctahedra that share corners with twelve equivalent AlY4Al8 cuboctahedra, edges with eight equivalent YAl12 cuboctahedra, edges with sixteen equivalent AlY4Al8 cuboctahedra, faces with four equivalent YAl12 cuboctahedra, and faces with fourteen equivalent AlY4Al8 cuboctahedra. All Al–Al bond lengths are 3.01 Å.
DOI: 10.17188/1187656
title: Materials Data on YAl3 by Materials Project

description: Al3Y crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two Al3Y clusters. Y is bonded in a trigonal planar geometry to three equivalent Al atoms. All Y–Al bond lengths are 2.95 Å. Al is bonded in a distorted single-bond geometry to one Y atom.
DOI: 10.17188/1187657
title: Materials Data on ZrAl by Materials Project

description: ZrAl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven equivalent Al atoms. There are a spread of Zr–Al bond distances ranging from 2.90–3.04 Å. Al is bonded in a 9-coordinate geometry to seven equivalent Zr and two equivalent Al atoms. Both Al–Al bond lengths are 2.66 Å.
DOI: 10.17188/1187658
title: Materials Data on PrMg2Ag by Materials Project

description: Mg2PrAg 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 Pr and four equivalent Ag atoms. All Mg–Pr bond lengths are 3.12 Å. All Mg–Ag bond lengths are 3.12 Å. Pr is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Ag atoms. All Pr–Ag bond lengths are 3.61 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Pr atoms.
DOI: 10.17188/1187659
title: Materials Data on SmMg2Ag by Materials Project

description: Mg2SmAg 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 Sm and four equivalent Ag atoms. All Mg–Sm bond lengths are 3.09 Å. All Mg–Ag bond lengths are 3.09 Å. Sm is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ag atoms. All Sm–Ag bond lengths are 3.57 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Sm atoms.
DOI: 10.17188/1187660
title: Materials Data on MgZnAg2 by Materials Project

description: Ag2MgZn 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 Ag atoms. All Mg–Ag bond lengths are 2.82 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Zn atoms. All Ag–Zn bond lengths are 2.82 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.