cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1317498
title: Materials Data on NbNi3 by Materials Project

description: Ni3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ni atoms to form NbNi12 cuboctahedra that share corners with twelve equivalent NbNi12 cuboctahedra, edges with twenty-four equivalent NiNb4Ni8 cuboctahedra, faces with six equivalent NbNi12 cuboctahedra, and faces with twelve equivalent NiNb4Ni8 cuboctahedra. All Nb–Ni bond lengths are 2.61 Å. Ni is bonded to four equivalent Nb and eight equivalent Ni atoms to form NiNb4Ni8 cuboctahedra that share corners with twelve equivalent NiNb4Ni8 cuboctahedra, edges with eight equivalent NbNi12 cuboctahedra, edges with sixteen equivalent NiNb4Ni8 cuboctahedra, faces with four equivalent NbNi12 cuboctahedra, and faces with fourteen equivalent NiNb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.61 Å.
DOI: 10.17188/1317499
title: Materials Data on Fe3Ni by Materials Project

description: Fe3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Ni atoms to form FeFe8Ni4 cuboctahedra that share corners with twelve equivalent FeFe8Ni4 cuboctahedra, edges with eight equivalent NiFe12 cuboctahedra, edges with sixteen equivalent FeFe8Ni4 cuboctahedra, faces with four equivalent NiFe12 cuboctahedra, and faces with fourteen equivalent FeFe8Ni4 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å. All Fe–Ni bond lengths are 2.53 Å. Ni is bonded to twelve equivalent Fe atoms to form NiFe12 cuboctahedra that share corners with twelve equivalent NiFe12 cuboctahedra, edges with twenty-four equivalent FeFe8Ni4 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with twelve equivalent FeFe8Ni4 cuboctahedra.
DOI: 10.17188/1317500
title: Materials Data on SmCoC2 by Materials Project

description: SmCoC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent C+2.50- atoms. All Sm–C bond lengths are 2.70 Å. Co2+ is bonded in a 4-coordinate geometry to four equivalent C+2.50- atoms. There is two shorter (1.95 Å) and two longer (1.99 Å) Co–C bond length. C+2.50- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent Co2+, and one C+2.50- atom. The C–C bond length is 1.38 Å.
DOI: 10.17188/1317501
title: Materials Data on SiNi by Materials Project

description: NiSi is gamma CuTi structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ni4+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.34–2.39 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Ni4+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.67 Å.
DOI: 10.17188/1317502
title: Materials Data on SmAu by Materials Project

description: AuSm is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Sm–Au bond distances ranging from 3.07–3.19 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Sm atoms.
DOI: 10.17188/1317503
title: Materials Data on RuN by Materials Project

description: RuN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru3+ is bonded to six equivalent N3- atoms to form a mixture of edge, face, and corner-sharing RuN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ru–N bond lengths are 2.16 Å. N3- is bonded to six equivalent Ru3+ atoms to form a mixture of distorted edge and corner-sharing NRu6 pentagonal pyramids.
DOI: 10.17188/1317504
title: Materials Data on AgN by Materials Project

description: NAg is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing AgN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ag–N bond lengths are 2.32 Å. N3- is bonded to six equivalent Ag3+ atoms to form a mixture of distorted corner and edge-sharing NAg6 pentagonal pyramids.
DOI: 10.17188/1317505
title: Materials Data on BMo by Materials Project

description: MoB crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mo3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.53 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent Mo3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.85 Å.
DOI: 10.17188/1317506
title: Materials Data on Si by Materials Project

description: Si is Theoretical Carbon Structure structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Si is bonded to four equivalent Si atoms to form a mixture of edge and corner-sharing SiSi4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.39 Å) Si–Si bond lengths.
DOI: 10.17188/1317507
title: Materials Data on Sc2MnSi by Materials Project

description: Sc2MnSi crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent Si atoms to form distorted edge-sharing ScSc4Si4 tetrahedra. All Sc–Sc bond lengths are 2.76 Å. All Sc–Si bond lengths are 2.76 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent Si atoms. All Sc–Mn bond lengths are 2.76 Å. All Sc–Si bond lengths are 3.19 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Si atoms. All Mn–Si bond lengths are 2.76 Å. Si is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.
DOI: 10.17188/1317508
title: Materials Data on ScC by Materials Project

description: ScC is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent C3- atoms to form a mixture of face, edge, and corner-sharing ScC6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Sc–C bond lengths are 2.38 Å. C3- is bonded to six equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing CSc6 pentagonal pyramids.
DOI: 10.17188/1317509
title: Materials Data on ScAl3 by Materials Project

description: Al3Sc is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded to twelve Al atoms to form ScAl12 cuboctahedra that share corners with four equivalent ScAl12 cuboctahedra, edges with eight equivalent ScAl12 cuboctahedra, edges with sixteen equivalent AlSc4Al8 cuboctahedra, faces with four equivalent ScAl12 cuboctahedra, and faces with eight equivalent AlSc4Al8 cuboctahedra. There are four shorter (2.85 Å) and eight longer (2.99 Å) Sc–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Sc and eight Al atoms to form AlSc4Al8 cuboctahedra that share corners with twelve equivalent AlSc4Al8 cuboctahedra, edges with eight equivalent ScAl12 cuboctahedra, edges with eight equivalent AlSc4Al8 cuboctahedra, faces with four equivalent ScAl12 cuboctahedra, and faces with ten equivalent AlSc4Al8 cuboctahedra. There are four shorter (2.85 Å) and four longer (2.99 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted square co-planar geometry to four equivalent Sc and eight equivalent Al atoms.
DOI: 10.17188/1317510
title: Materials Data on ScC by Materials Project

description: ScC crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to five equivalent C3- atoms to form a mixture of edge and corner-sharing ScC5 trigonal bipyramids. All Sc–C bond lengths are 2.29 Å. C3- is bonded to five equivalent Sc3+ atoms to form a mixture of edge and corner-sharing CSc5 trigonal bipyramids.
DOI: 10.17188/1317511
title: Materials Data on ScAl by Materials Project

description: AlSc crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to seven equivalent Al atoms. There are a spread of Sc–Al bond distances ranging from 2.92–3.16 Å. Al is bonded in a 9-coordinate geometry to seven equivalent Sc and two equivalent Al atoms. Both Al–Al bond lengths are 2.59 Å.
DOI: 10.17188/1317512
title: Materials Data on Sc2MnSn by Materials Project

description: Sc2MnSn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent Sn atoms to form distorted edge-sharing ScSc4Sn4 tetrahedra. All Sc–Sc bond lengths are 2.92 Å. All Sc–Sn bond lengths are 2.92 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent Sn atoms. All Sc–Mn bond lengths are 2.92 Å. All Sc–Sn bond lengths are 3.37 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Mn–Sn bond lengths are 2.92 Å. Sn is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.
DOI: 10.17188/1317513
title: Materials Data on Sc2MnSi by Materials Project

description: Sc2MnSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Si atoms. All Sc–Mn bond lengths are 2.77 Å. All Sc–Si bond lengths are 2.77 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1317514
title: Materials Data on Sc2MnGe by Materials Project

description: Sc2MnGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent Ge atoms to form distorted edge-sharing ScSc4Ge4 tetrahedra. All Sc–Sc bond lengths are 2.80 Å. All Sc–Ge bond lengths are 2.80 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent Ge atoms. All Sc–Mn bond lengths are 2.80 Å. All Sc–Ge bond lengths are 3.23 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Ge atoms. All Mn–Ge bond lengths are 2.80 Å. Ge is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.
DOI: 10.17188/1317515
title: Materials Data on Sc2MnC by Materials Project

description: Sc2MnC crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent C atoms to form distorted edge-sharing ScSc4C4 tetrahedra. All Sc–Sc bond lengths are 2.56 Å. All Sc–C bond lengths are 2.56 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent C atoms. All Sc–Mn bond lengths are 2.56 Å. All Sc–C bond lengths are 2.96 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent C atoms. All Mn–C bond lengths are 2.56 Å. C is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.
DOI: 10.17188/1317516
title: Materials Data on Sc2MnC by Materials Project

description: Sc2MnC is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent C atoms. All Sc–Mn bond lengths are 2.61 Å. All Sc–C bond lengths are 2.61 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. C is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1317517
title: Materials Data on Sc2MnGe by Materials Project

description: Sc2MnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Sc–Mn bond lengths are 2.87 Å. All Sc–Ge bond lengths are 2.87 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1317518
title: Materials Data on RuC by Materials Project

description: RuC crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three RuC sheets oriented in the (0, 0, 1) direction. Ru4+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. All Ru–C bond lengths are 2.05 Å. C4- is bonded in a rectangular see-saw-like geometry to three equivalent Ru4+ and one C4- atom. The C–C bond length is 1.40 Å.
DOI: 10.17188/1317519
title: Materials Data on RhN by Materials Project

description: RhN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent N3- atoms to form a mixture of face, edge, and corner-sharing RhN6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Rh–N bond lengths are 2.18 Å. N3- is bonded to six equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing NRh6 pentagonal pyramids.
DOI: 10.17188/1317520
title: Materials Data on ReN by Materials Project

description: ReN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Re3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Re–N bond lengths are 2.06 Å. N3- is bonded in a 4-coordinate geometry to four equivalent Re3+ atoms.
DOI: 10.17188/1317521
title: Materials Data on RbYS2 by Materials Project

description: RbYS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent YS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–S bond lengths are 3.33 Å. Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Y–S bond lengths are 2.78 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SRb3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317522
title: Materials Data on ReN by Materials Project

description: ReN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing ReN6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Re–N bond lengths are 2.19 Å. N3- is bonded to six equivalent Re3+ atoms to form a mixture of distorted corner and edge-sharing NRe6 pentagonal pyramids.
DOI: 10.17188/1317523
title: Materials Data on RbSnS2 by Materials Project

description: RbSnS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent SnS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–S bond lengths are 3.34 Å. Sn3+ is bonded to six equivalent S2- atoms to form SnS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Sn–S bond lengths are 2.78 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Sn3+ atoms to form a mixture of edge and corner-sharing SRb3Sn3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317524
title: Materials Data on RbSmTe2 by Materials Project

description: RbSmTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 octahedra that share corners with six equivalent SmTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Te bond lengths are 3.68 Å. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with six equivalent RbTe6 octahedra, edges with six equivalent RbTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sm–Te bond lengths are 3.17 Å. Te2- is bonded to three equivalent Rb1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing TeRb3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317525
title: Materials Data on RbNaH2 by Materials Project

description: NaRbH2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one natrium molecule and one RbH2 framework. In the RbH2 framework, Rb1+ is bonded to six H1- atoms to form a mixture of edge and corner-sharing RbH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–H bond lengths are 2.81 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. In the second H1- site, H1- is bonded in a linear geometry to two equivalent Rb1+ atoms.
DOI: 10.17188/1317526
title: Materials Data on PrRhC2 by Materials Project

description: PrRhC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight equivalent C3- atoms. There are four shorter (2.83 Å) and four longer (2.89 Å) Pr–C bond lengths. Rh3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There are two shorter (2.11 Å) and two longer (2.17 Å) Rh–C bond lengths. C3- is bonded in a 7-coordinate geometry to four equivalent Pr3+, two equivalent Rh3+, and one C3- atom. The C–C bond length is 1.35 Å.
DOI: 10.17188/1317527
title: Materials Data on PrTlTe2 by Materials Project

description: PrTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Te2- atoms to form PrTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Pr–Te bond lengths are 3.22 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent PrTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.52 Å. Te2- is bonded to three equivalent Pr3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TePr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317528
title: Materials Data on PrTlSe2 by Materials Project

description: TlPrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Se2- atoms to form PrSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent PrSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Pr–Se bond lengths are 3.00 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent PrSe6 octahedra, edges with six equivalent PrSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.37 Å. Se2- is bonded to three equivalent Pr3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SePr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317529
title: Materials Data on PuCoC2 by Materials Project

description: PuCoC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pu6+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. There are four shorter (2.66 Å) and four longer (2.67 Å) Pu–C bond lengths. Co2+ is bonded in a 4-coordinate geometry to four equivalent C4- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Co–C bond length. C4- is bonded in a 7-coordinate geometry to four equivalent Pu6+, two equivalent Co2+, and one C4- atom. The C–C bond length is 1.40 Å.
DOI: 10.17188/1317530
title: Materials Data on PrPd by Materials Project

description: PrPd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Pr–Pd bond distances ranging from 3.05–3.13 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Pr atoms.
DOI: 10.17188/1317531
title: Materials Data on Pd3N by Materials Project

description: Pd3N is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent N atoms to form distorted PdPd8N4 cuboctahedra that share corners with twelve equivalent PdPd8N4 cuboctahedra, edges with eight equivalent NPd12 cuboctahedra, edges with sixteen equivalent PdPd8N4 cuboctahedra, faces with four equivalent NPd12 cuboctahedra, and faces with fourteen equivalent PdPd8N4 cuboctahedra. All Pd–Pd bond lengths are 2.71 Å. All Pd–N bond lengths are 2.71 Å. N is bonded to twelve equivalent Pd atoms to form NPd12 cuboctahedra that share corners with twelve equivalent NPd12 cuboctahedra, edges with twenty-four equivalent PdPd8N4 cuboctahedra, faces with six equivalent NPd12 cuboctahedra, and faces with twelve equivalent PdPd8N4 cuboctahedra.
DOI: 10.17188/1317532
title: Materials Data on PdN by Materials Project

description: PdN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent N2- atoms. All Pd–N bond lengths are 2.05 Å. N2- is bonded to four equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing NPd4 tetrahedra.
DOI: 10.17188/1317533
title: Materials Data on Pd3N by Materials Project

description: Pd3N is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded in a linear geometry to two equivalent N atoms. Both Pd–N bond lengths are 2.04 Å. N is bonded to six equivalent Pd atoms to form corner-sharing NPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.