cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1317568
title: Materials Data on Nb3Fe by Materials Project

description: Nb3Fe is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a square co-planar geometry to eight equivalent Nb and four equivalent Fe atoms. All Nb–Nb bond lengths are 2.99 Å. All Nb–Fe bond lengths are 2.68 Å. In the second Nb site, Nb is bonded to eight Nb and four equivalent Fe atoms to form NbNb8Fe4 cuboctahedra that share corners with twelve equivalent NbNb8Fe4 cuboctahedra, edges with eight equivalent NbNb8Fe4 cuboctahedra, edges with eight equivalent FeNb12 cuboctahedra, faces with four equivalent FeNb12 cuboctahedra, and faces with ten equivalent NbNb8Fe4 cuboctahedra. All Nb–Nb bond lengths are 2.68 Å. All Nb–Fe bond lengths are 2.99 Å. Fe is bonded to twelve Nb atoms to form FeNb12 cuboctahedra that share corners with four equivalent FeNb12 cuboctahedra, edges with eight equivalent FeNb12 cuboctahedra, edges with sixteen equivalent NbNb8Fe4 cuboctahedra, faces with four equivalent FeNb12 cuboctahedra, and faces with eight equivalent NbNb8Fe4 cuboctahedra.
DOI: 10.17188/1317569
title: Materials Data on Nb3Cr by Materials Project

description: Nb3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Cr atoms. All Nb–Nb bond lengths are 2.79 Å. All Nb–Cr bond lengths are 2.79 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Nb and six equivalent Cr atoms. All Nb–Cr bond lengths are 3.22 Å. Cr is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.
DOI: 10.17188/1317570
title: Materials Data on Nb3Fe by Materials Project

description: Nb3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to eight equivalent Nb and four equivalent Fe atoms to form NbNb8Fe4 cuboctahedra that share corners with twelve equivalent NbNb8Fe4 cuboctahedra, edges with eight equivalent FeNb12 cuboctahedra, edges with sixteen equivalent NbNb8Fe4 cuboctahedra, faces with four equivalent FeNb12 cuboctahedra, and faces with fourteen equivalent NbNb8Fe4 cuboctahedra. All Nb–Nb bond lengths are 2.86 Å. All Nb–Fe bond lengths are 2.86 Å. Fe is bonded to twelve equivalent Nb atoms to form FeNb12 cuboctahedra that share corners with twelve equivalent FeNb12 cuboctahedra, edges with twenty-four equivalent NbNb8Fe4 cuboctahedra, faces with six equivalent FeNb12 cuboctahedra, and faces with twelve equivalent NbNb8Fe4 cuboctahedra.
DOI: 10.17188/1317571
title: Materials Data on Nb3Cr by Materials Project

description: Nb3Cr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted square co-planar geometry to eight equivalent Nb and four equivalent Cr atoms. All Nb–Nb bond lengths are 3.05 Å. All Nb–Cr bond lengths are 2.68 Å. In the second Nb site, Nb is bonded to eight Nb and four equivalent Cr atoms to form NbNb8Cr4 cuboctahedra that share corners with twelve equivalent NbNb8Cr4 cuboctahedra, edges with eight equivalent NbNb8Cr4 cuboctahedra, edges with eight equivalent CrNb12 cuboctahedra, faces with four equivalent CrNb12 cuboctahedra, and faces with ten equivalent NbNb8Cr4 cuboctahedra. All Nb–Nb bond lengths are 2.68 Å. All Nb–Cr bond lengths are 3.05 Å. Cr is bonded to twelve Nb atoms to form CrNb12 cuboctahedra that share corners with four equivalent CrNb12 cuboctahedra, edges with eight equivalent CrNb12 cuboctahedra, edges with sixteen equivalent NbNb8Cr4 cuboctahedra, faces with four equivalent CrNb12 cuboctahedra, and faces with eight equivalent NbNb8Cr4 cuboctahedra.
DOI: 10.17188/1317572
title: Materials Data on Nb3Cr by Materials Project

description: Nb3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to eight equivalent Nb and four equivalent Cr atoms to form NbNb8Cr4 cuboctahedra that share corners with twelve equivalent NbNb8Cr4 cuboctahedra, edges with eight equivalent CrNb12 cuboctahedra, edges with sixteen equivalent NbNb8Cr4 cuboctahedra, faces with four equivalent CrNb12 cuboctahedra, and faces with fourteen equivalent NbNb8Cr4 cuboctahedra. All Nb–Nb bond lengths are 2.92 Å. All Nb–Cr bond lengths are 2.92 Å. Cr is bonded to twelve equivalent Nb atoms to form CrNb12 cuboctahedra that share corners with twelve equivalent CrNb12 cuboctahedra, edges with twenty-four equivalent NbNb8Cr4 cuboctahedra, faces with six equivalent CrNb12 cuboctahedra, and faces with twelve equivalent NbNb8Cr4 cuboctahedra.
DOI: 10.17188/1317573
title: Materials Data on NaSmTe2 by Materials Project

description: NaSmTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Te2- atoms to form NaTe6 octahedra that share corners with six equivalent SmTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Te bond lengths are 3.28 Å. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sm–Te bond lengths are 3.16 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing TeNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317574
title: Materials Data on NaYSe2 by Materials Project

description: NaYSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–Se bond lengths are 3.06 Å. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Y–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SeNa3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317575
title: Materials Data on NaSmSe2 by Materials Project

description: NaSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.07 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sm–Se bond lengths are 2.94 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SeNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317576
title: Materials Data on NaVS2 by Materials Project

description: NaVS2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form distorted NaS6 octahedra that share corners with twelve equivalent VS6 octahedra, edges with six equivalent NaS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are four shorter (2.86 Å) and two longer (2.88 Å) Na–S bond lengths. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with twelve equivalent NaS6 octahedra, edges with six equivalent VS6 octahedra, and faces with two equivalent NaS6 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are four shorter (2.45 Å) and two longer (2.48 Å) V–S bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent V3+ atoms.
DOI: 10.17188/1317577
title: Materials Data on NaSmS2 by Materials Project

description: NaSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–S bond lengths are 2.97 Å. Sm3+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sm–S bond lengths are 2.81 Å. S2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317578
title: Materials Data on NaScS2 by Materials Project

description: NaScS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent ScS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent ScS6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Na–S bond lengths are 2.88 Å. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent ScS6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Sc–S bond lengths are 2.61 Å. S2- is bonded to three equivalent Na1+ and three equivalent Sc3+ atoms to form a mixture of edge and corner-sharing SNa3Sc3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317579
title: Materials Data on NaPrSe2 by Materials Project

description: NaPrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent PrSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.10 Å. Pr3+ is bonded to six equivalent Se2- atoms to form PrSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Pr–Se bond lengths are 3.00 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of corner and edge-sharing SeNa3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317580
title: Materials Data on ZnN by Materials Project

description: ZnN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent N2- atoms. All Zn–N bond lengths are 2.35 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.
DOI: 10.17188/1317581
title: Materials Data on NaNdS2 by Materials Project

description: NaNdS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent NdS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–S bond lengths are 2.98 Å. Nd3+ is bonded to six equivalent S2- atoms to form NdS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–S bond lengths are 2.86 Å. S2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317582
title: Materials Data on NaNdSe2 by Materials Project

description: NaNdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent NdSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.10 Å. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–Se bond lengths are 2.98 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SeNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317583
title: Materials Data on NaLaSe2 by Materials Project

description: NaLaSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent LaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.14 Å. La3+ is bonded to six equivalent Se2- atoms to form LaSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All La–Se bond lengths are 3.02 Å. Se2- is bonded to three equivalent Na1+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing SeNa3La3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317584
title: Materials Data on ZnN by Materials Project

description: ZnN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent N2- atoms to form a mixture of corner and edge-sharing ZnN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–N bond lengths are 2.16 Å. N2- is bonded to six equivalent Zn2+ atoms to form a mixture of corner and edge-sharing NZn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317585
title: Materials Data on NaHoSe2 by Materials Project

description: NaHoSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent HoSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.04 Å. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ho–Se bond lengths are 2.87 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing SeNa3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317586
title: Materials Data on YTi by Materials Project

description: YTi 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 Ti atoms. All Y–Ti bond lengths are 3.17 Å. Ti is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1317587
title: Materials Data on ZnN by Materials Project

description: ZnN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent N2- atoms to form corner-sharing ZnN4 tetrahedra. All Zn–N bond lengths are 1.99 Å. N2- is bonded to four equivalent Zn2+ atoms to form corner-sharing NZn4 tetrahedra.
DOI: 10.17188/1317588
title: Materials Data on NaDySe2 by Materials Project

description: NaDySe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent DySe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–Se bond lengths are 3.06 Å. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Dy–Se bond lengths are 2.88 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SeNa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317589
title: Materials Data on NaGdSe2 by Materials Project

description: NaGdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.08 Å. Gd3+ is bonded to six equivalent Se2- atoms to form GdSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Gd–Se bond lengths are 2.91 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Gd3+ atoms to form a mixture of edge and corner-sharing SeNa3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317590
title: Materials Data on NaDyS2 by Materials Project

description: NaDyS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent DyS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent DyS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–S bond lengths are 2.93 Å. Dy3+ is bonded to six equivalent S2- atoms to form DyS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent DyS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Dy–S bond lengths are 2.76 Å. S2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SNa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317591
title: Materials Data on NaCeSe2 by Materials Project

description: NaCeSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent CeSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent CeSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.08 Å. Ce3+ is bonded to six equivalent Se2- atoms to form CeSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent CeSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ce–Se bond lengths are 2.98 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing SeNa3Ce3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317592
title: Materials Data on Na3N by Materials Project

description: Na3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight equivalent Na1+ and six equivalent N3- atoms. All Na–Na bond lengths are 2.73 Å. All Na–N bond lengths are 3.15 Å. In the second Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of edge, corner, and face-sharing NaNa4N4 tetrahedra. All Na–N bond lengths are 2.73 Å. N3- is bonded in a body-centered cubic geometry to fourteen Na1+ atoms.
DOI: 10.17188/1317593
title: Materials Data on Na3N by Materials Project

description: Na3N crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Na–N bond lengths are 2.59 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.38 Å. N3- is bonded to eight Na1+ atoms to form a mixture of corner and edge-sharing NNa8 hexagonal bipyramids.
DOI: 10.17188/1317594
title: Materials Data on N2 by Materials Project

description: N2 is graphite-like structured and crystallizes in the cubic I2_13 space group. The structure is three-dimensional. N is bonded in a trigonal non-coplanar geometry to three equivalent N atoms. All N–N bond lengths are 1.41 Å.
DOI: 10.17188/1317595
title: Materials Data on Na by Materials Project

description: Na is beta Polonium-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six equivalent Na atoms to form a mixture of distorted corner and edge-sharing NaNa6 pentagonal pyramids. All Na–Na bond lengths are 3.43 Å. In the second Na site, Na is bonded to six equivalent Na atoms to form a mixture of corner, edge, and face-sharing NaNa6 octahedra. The corner-sharing octahedral tilt angles are 46°.