cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1315530
title: Materials Data on Na3Be by Materials Project

description: Na3Be is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Be atoms to form distorted NaNa8Be4 cuboctahedra that share corners with twelve equivalent NaNa8Be4 cuboctahedra, edges with eight equivalent BeNa12 cuboctahedra, edges with sixteen NaNa8Be4 cuboctahedra, faces with four equivalent BeNa12 cuboctahedra, and faces with fourteen NaNa8Be4 cuboctahedra. There are four shorter (3.30 Å) and four longer (3.33 Å) Na–Na bond lengths. All Na–Be bond lengths are 3.33 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Be atoms to form distorted NaNa8Be4 cuboctahedra that share corners with four equivalent NaNa8Be4 cuboctahedra, corners with eight equivalent BeNa12 cuboctahedra, edges with twenty-four NaNa8Be4 cuboctahedra, faces with six equivalent BeNa12 cuboctahedra, and faces with twelve NaNa8Be4 cuboctahedra. All Na–Be bond lengths are 3.30 Å. Be is bonded to twelve Na atoms to form BeNa12 cuboctahedra that share corners with four equivalent BeNa12 cuboctahedra, corners with eight equivalent NaNa8Be4 cuboctahedra, edges with eight equivalent BeNa12 cuboctahedra, edges with sixteen equivalent NaNa8Be4 cuboctahedra, faces with four equivalent BeNa12 cuboctahedra, and faces with fourteen NaNa8Be4 cuboctahedra.
DOI: 10.17188/1315531
title: Materials Data on Li3Er by Materials Project

description: Li3Er crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Er atoms. There are two shorter (2.96 Å) and four longer (3.05 Å) Li–Li bond lengths. All Li–Er bond lengths are 3.24 Å. Er is bonded to twelve equivalent Li atoms to form a mixture of corner and face-sharing ErLi12 cuboctahedra.
DOI: 10.17188/1315532
title: Materials Data on Na3C by Materials Project

description: Na3C is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent C3- atoms to form a mixture of corner, edge, and face-sharing NaNa4C4 tetrahedra. All Na–Na bond lengths are 2.89 Å. All Na–C bond lengths are 2.89 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms. C3- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.
DOI: 10.17188/1315533
title: Materials Data on NaTl2Sb by Materials Project

description: NaTl2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms. All Na–Tl bond lengths are 3.39 Å. Tl1+ is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Sb3- atoms. All Tl–Sb bond lengths are 3.39 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms.
DOI: 10.17188/1315534
title: Materials Data on NaTl2Pd by Materials Project

description: NaPdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to six equivalent Pd and eight equivalent Tl atoms. All Na–Pd bond lengths are 3.56 Å. All Na–Tl bond lengths are 3.08 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Tl atoms. All Pd–Tl bond lengths are 3.08 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pd atoms.
DOI: 10.17188/1315535
title: Materials Data on NaTm by Materials Project

description: NaTm is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Na is bonded to six equivalent Na and six equivalent Tm atoms to form NaNa6Tm6 cuboctahedra that share corners with eighteen equivalent NaNa6Tm6 cuboctahedra, edges with six equivalent NaNa6Tm6 cuboctahedra, edges with twelve equivalent TmNa6Tm6 cuboctahedra, faces with eight equivalent NaNa6Tm6 cuboctahedra, and faces with twelve equivalent TmNa6Tm6 cuboctahedra. All Na–Na bond lengths are 3.43 Å. All Na–Tm bond lengths are 3.69 Å. Tm is bonded to six equivalent Na and six equivalent Tm atoms to form TmNa6Tm6 cuboctahedra that share corners with eighteen equivalent TmNa6Tm6 cuboctahedra, edges with six equivalent TmNa6Tm6 cuboctahedra, edges with twelve equivalent NaNa6Tm6 cuboctahedra, faces with eight equivalent TmNa6Tm6 cuboctahedra, and faces with twelve equivalent NaNa6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.43 Å.
DOI: 10.17188/1315536
title: Materials Data on Li2Mg by Materials Project

description: MgLi2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to nine equivalent Li and three equivalent Mg atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent MgLi6Mg6 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with seven equivalent MgLi6Mg6 cuboctahedra, and faces with thirteen equivalent LiLi9Mg3 cuboctahedra. There are three shorter (3.04 Å) and six longer (3.09 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.10 Å. Mg is bonded to six equivalent Li and six equivalent Mg atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent MgLi6Mg6 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with six equivalent MgLi6Mg6 cuboctahedra, and faces with fourteen equivalent LiLi9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å.
DOI: 10.17188/1315537
title: Materials Data on NpMn3 by Materials Project

description: NpMn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to twelve equivalent Mn atoms to form NpMn12 cuboctahedra that share corners with twelve equivalent NpMn12 cuboctahedra, edges with twenty-four equivalent MnNp4Mn8 cuboctahedra, faces with six equivalent NpMn12 cuboctahedra, and faces with twelve equivalent MnNp4Mn8 cuboctahedra. All Np–Mn bond lengths are 2.63 Å. Mn is bonded to four equivalent Np and eight equivalent Mn atoms to form MnNp4Mn8 cuboctahedra that share corners with twelve equivalent MnNp4Mn8 cuboctahedra, edges with eight equivalent NpMn12 cuboctahedra, edges with sixteen equivalent MnNp4Mn8 cuboctahedra, faces with four equivalent NpMn12 cuboctahedra, and faces with fourteen equivalent MnNp4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.63 Å.
DOI: 10.17188/1315538
title: Materials Data on NpAl3 by Materials Project

description: NpAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np is bonded to twelve equivalent Al atoms to form a mixture of corner and face-sharing NpAl12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.09 Å) Np–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Np and six equivalent Al atoms. There are two shorter (2.85 Å) and four longer (2.87 Å) Al–Al bond lengths.
DOI: 10.17188/1315539
title: Materials Data on Li2Mg by Materials Project

description: MgLi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to ten Li and two equivalent Mg atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve LiLi8Mg4 cuboctahedra, edges with seven equivalent LiLi8Mg4 cuboctahedra, edges with eleven equivalent MgLi6Mg6 cuboctahedra, faces with four equivalent MgLi6Mg6 cuboctahedra, and faces with sixteen LiLi10Mg2 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.02–3.11 Å. Both Li–Mg bond lengths are 3.04 Å. In the second Li site, Li is bonded to eight Li and four equivalent Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve LiLi10Mg2 cuboctahedra, edges with three equivalent MgLi6Mg6 cuboctahedra, edges with fifteen LiLi8Mg4 cuboctahedra, faces with eight equivalent MgLi6Mg6 cuboctahedra, and faces with twelve LiLi10Mg2 cuboctahedra. Both Li–Li bond lengths are 3.11 Å. There are two shorter (3.07 Å) and two longer (3.12 Å) Li–Mg bond lengths. Mg is bonded to six Li and six equivalent Mg atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve LiLi10Mg2 cuboctahedra, edges with four equivalent MgLi6Mg6 cuboctahedra, edges with fourteen LiLi10Mg2 cuboctahedra, faces with eight equivalent MgLi6Mg6 cuboctahedra, and faces with twelve LiLi8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å.
DOI: 10.17188/1315540
title: Materials Data on PrAs3 by Materials Project

description: PrAs3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent As1- atoms to form a mixture of corner and face-sharing PrAs12 cuboctahedra. All Pr–As bond lengths are 3.16 Å. As1- is bonded in a square co-planar geometry to four equivalent Pr3+ atoms.
DOI: 10.17188/1315541
title: Materials Data on LaNd3 by Materials Project

description: Nd3La is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent La atoms to form NdLa4Nd8 cuboctahedra that share corners with four equivalent LaNd12 cuboctahedra, corners with fourteen equivalent NdLa4Nd8 cuboctahedra, edges with six equivalent LaNd12 cuboctahedra, edges with twelve equivalent NdLa4Nd8 cuboctahedra, faces with four equivalent LaNd12 cuboctahedra, and faces with sixteen equivalent NdLa4Nd8 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.69–3.74 Å. There are two shorter (3.70 Å) and two longer (3.72 Å) Nd–La bond lengths. La is bonded to twelve equivalent Nd atoms to form LaNd12 cuboctahedra that share corners with six equivalent LaNd12 cuboctahedra, corners with twelve equivalent NdLa4Nd8 cuboctahedra, edges with eighteen equivalent NdLa4Nd8 cuboctahedra, faces with eight equivalent LaNd12 cuboctahedra, and faces with twelve equivalent NdLa4Nd8 cuboctahedra.
DOI: 10.17188/1315542
title: Materials Data on Li3Cr by Materials Project

description: Li3Cr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Cr atoms to form distorted LiLi8Cr4 cuboctahedra that share corners with four equivalent CrLi12 cuboctahedra, corners with fourteen equivalent LiLi8Cr4 cuboctahedra, edges with six equivalent CrLi12 cuboctahedra, edges with twelve equivalent LiLi8Cr4 cuboctahedra, faces with four equivalent CrLi12 cuboctahedra, and faces with sixteen equivalent LiLi8Cr4 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.92–2.98 Å. There are two shorter (2.93 Å) and two longer (2.97 Å) Li–Cr bond lengths. Cr is bonded to twelve equivalent Li atoms to form CrLi12 cuboctahedra that share corners with six equivalent CrLi12 cuboctahedra, corners with twelve equivalent LiLi8Cr4 cuboctahedra, edges with eighteen equivalent LiLi8Cr4 cuboctahedra, faces with eight equivalent CrLi12 cuboctahedra, and faces with twelve equivalent LiLi8Cr4 cuboctahedra.
DOI: 10.17188/1315543
title: Materials Data on Li3Tc by Materials Project

description: Li3Tc crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent Tc3- atoms. All Li–Tc bond lengths are 2.80 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four equivalent Tc3- atoms. All Li–Tc bond lengths are 2.65 Å. Tc3- is bonded to twelve Li1+ atoms to form a mixture of edge, face, and corner-sharing TcLi12 cuboctahedra.
DOI: 10.17188/1315544
title: Materials Data on Li3Th by Materials Project

description: Li3Th is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Th atoms. All Li–Li bond lengths are 3.10 Å. All Li–Th bond lengths are 3.10 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Th atoms. All Li–Th bond lengths are 3.57 Å. Th is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
DOI: 10.17188/1315545
title: Materials Data on Hg3Sb by Materials Project

description: Hg3Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg1+ is bonded in a 12-coordinate geometry to four equivalent Hg1+ and four equivalent Sb3- atoms. There are two shorter (3.22 Å) and two longer (3.26 Å) Hg–Hg bond lengths. There are two shorter (3.24 Å) and two longer (3.44 Å) Hg–Sb bond lengths. Sb3- is bonded to twelve equivalent Hg1+ atoms to form a mixture of distorted face and corner-sharing SbHg12 cuboctahedra.
DOI: 10.17188/1315546
title: Materials Data on NaTi5Se8 by Materials Project

description: NaTi5Se8 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a distorted q6 geometry to ten Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.37–3.57 Å. There are three inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TiSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.57 Å) and two longer (2.62 Å) Ti–Se bond lengths. In the second Ti3+ site, Ti3+ is bonded to six Se2- atoms to form a mixture of corner, edge, and face-sharing TiSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Ti–Se bond distances ranging from 2.50–2.74 Å. In the third Ti3+ site, Ti3+ is bonded to six Se2- atoms to form a mixture of corner, edge, and face-sharing TiSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Ti–Se bond distances ranging from 2.49–2.68 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one Na1+ and four Ti3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Ti3+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and three equivalent Ti3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ti3+ atoms.
DOI: 10.17188/1315547
title: Materials Data on Pm2Mg by Materials Project

description: MgPm2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two MgPm2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. All Mg–Pm bond lengths are 3.36 Å. Pm is bonded in a 8-coordinate geometry to four equivalent Mg atoms.
DOI: 10.17188/1315548
title: Materials Data on MgRh5 by Materials Project

description: Rh5Mg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Rh atoms. There are a spread of Mg–Rh bond distances ranging from 2.66–2.80 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded to two equivalent Mg and ten Rh atoms to form distorted RhMg2Rh10 cuboctahedra that share corners with eight RhMg2Rh10 cuboctahedra, edges with nine RhMg2Rh5 cuboctahedra, and faces with six RhMg2Rh10 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.68–2.77 Å. In the second Rh site, Rh is bonded to two equivalent Mg and five Rh atoms to form distorted RhMg2Rh5 cuboctahedra that share corners with eleven RhMg2Rh10 cuboctahedra, edges with eight RhMg2Rh10 cuboctahedra, and faces with two equivalent RhMg2Rh5 cuboctahedra. Both Rh–Rh bond lengths are 2.77 Å. In the third Rh site, Rh is bonded in a distorted single-bond geometry to one Mg and five Rh atoms. There are one shorter (2.66 Å) and two longer (2.73 Å) Rh–Rh bond lengths. In the fourth Rh site, Rh is bonded to two equivalent Mg and ten Rh atoms to form distorted RhMg2Rh10 cuboctahedra that share corners with eleven RhMg2Rh5 cuboctahedra, edges with seven RhMg2Rh10 cuboctahedra, and faces with six RhMg2Rh10 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.77 Å) Rh–Rh bond lengths. In the fifth Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Mg and four Rh atoms.
DOI: 10.17188/1315549
title: Materials Data on LuBi3 by Materials Project

description: LuBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Bi atoms to form LuBi12 cuboctahedra that share corners with twelve equivalent LuBi12 cuboctahedra, edges with twenty-four equivalent BiLu4Bi8 cuboctahedra, faces with six equivalent LuBi12 cuboctahedra, and faces with twelve equivalent BiLu4Bi8 cuboctahedra. All Lu–Bi bond lengths are 3.49 Å. Bi is bonded to four equivalent Lu and eight equivalent Bi atoms to form distorted BiLu4Bi8 cuboctahedra that share corners with twelve equivalent BiLu4Bi8 cuboctahedra, edges with eight equivalent LuBi12 cuboctahedra, edges with sixteen equivalent BiLu4Bi8 cuboctahedra, faces with four equivalent LuBi12 cuboctahedra, and faces with fourteen equivalent BiLu4Bi8 cuboctahedra. All Bi–Bi bond lengths are 3.49 Å.
DOI: 10.17188/1315550
title: Materials Data on MgRe3 by Materials Project

description: MgRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.70 Å) and six longer (3.11 Å) Mg–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Mg and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing ReMg4Re4 tetrahedra. All Re–Re bond lengths are 2.70 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Re atoms.
DOI: 10.17188/1315551
title: Materials Data on Li3Sm by Materials Project

description: Li3Sm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sm atoms. All Li–Li bond lengths are 3.14 Å. All Li–Sm bond lengths are 3.14 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sm atoms. All Li–Sm bond lengths are 3.63 Å. Sm is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
DOI: 10.17188/1315552
title: Materials Data on NpSb3 by Materials Project

description: NpSb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of face and corner-sharing NpSb12 cuboctahedra. There are six shorter (3.23 Å) and six longer (3.43 Å) Np–Sb bond lengths. Sb1- is bonded in a 4-coordinate geometry to four equivalent Np3+ atoms.
DOI: 10.17188/1315553
title: Materials Data on LiBeH3 by Materials Project

description: LiBeH3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six H1- atoms to form LiH6 octahedra that share corners with six equivalent BeH4 tetrahedra and edges with two equivalent LiH6 octahedra. There are a spread of Li–H bond distances ranging from 1.86–1.96 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six H1- atoms. There are a spread of Li–H bond distances ranging from 1.92–2.20 Å. Be2+ is bonded to four H1- atoms to form BeH4 tetrahedra that share corners with three equivalent LiH6 octahedra and corners with two equivalent BeH4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–63°. There is two shorter (1.41 Å) and two longer (1.49 Å) Be–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded to three Li1+ and one Be2+ atom to form a mixture of distorted edge and corner-sharing HLi3Be tetrahedra. In the second H1- site, H1- is bonded in a distorted T-shaped geometry to two Li1+ and one Be2+ atom. In the third H1- site, H1- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Be2+ atoms.
DOI: 10.17188/1315554
title: Materials Data on Li3Pu by Materials Project

description: Li3Pu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pu atoms. All Li–Li bond lengths are 3.11 Å. All Li–Pu bond lengths are 3.11 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pu atoms. All Li–Pu bond lengths are 3.59 Å. Pu is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
DOI: 10.17188/1315555
title: Materials Data on OsAu3 by Materials Project

description: OsAu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os2- is bonded to twelve equivalent Au+0.67+ atoms to form a mixture of corner and face-sharing OsAu12 cuboctahedra. All Os–Au bond lengths are 2.89 Å. Au+0.67+ is bonded in a square co-planar geometry to four equivalent Os2- atoms.
DOI: 10.17188/1315556
title: Materials Data on NaLu3 by Materials Project

description: NaLu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Lu atoms to form NaLu12 cuboctahedra that share corners with four equivalent NaLu12 cuboctahedra, edges with eight equivalent NaLu12 cuboctahedra, edges with sixteen equivalent LuNa4Lu8 cuboctahedra, faces with four equivalent NaLu12 cuboctahedra, and faces with eight equivalent LuNa4Lu8 cuboctahedra. There are four shorter (3.40 Å) and eight longer (3.55 Å) Na–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Na and eight Lu atoms to form LuNa4Lu8 cuboctahedra that share corners with twelve equivalent LuNa4Lu8 cuboctahedra, edges with eight equivalent NaLu12 cuboctahedra, edges with eight equivalent LuNa4Lu8 cuboctahedra, faces with four equivalent NaLu12 cuboctahedra, and faces with ten equivalent LuNa4Lu8 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.55 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Lu atoms.