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At least 829 records · Page 46

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DOE OSTI2020

Materials Data on ThCN by Materials Project

NCTh crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 7-coordinate geometry to three equivalent C2- and four equivalent N2- atoms. There are two shorter (2.82 Å) and one longer (2.85 Å) Th–C bond lengths. There are a spread of Th–N bond distances ranging from 2.36–2.39 Å. C2- is bonded in a rectangular see-saw-like geometry to three equivalent Th4+ and one C2- atom. The C–C bond length is 1.26 Å. N2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing NTh4 tetrahedra.

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DOE OSTI2020

Materials Data on SiCN by Materials Project

SiCN is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Si4+ is bonded in a body-centered cubic geometry to four equivalent C2- and four equivalent N2- atoms. All Si–C bond lengths are 2.06 Å. All Si–N bond lengths are 2.06 Å. C2- is bonded to four equivalent Si4+ atoms to form CSi4 tetrahedra that share corners with four equivalent NSi4 tetrahedra, corners with twelve equivalent CSi4 tetrahedra, and edges with six equivalent NSi4 tetrahedra. N2- is bonded to four equivalent Si4+ atoms to form NSi4 tetrahedra that share corners with four equivalent CSi4 tetrahedra, corners with twelve equivalent NSi4 tetrahedra, and edges with six equivalent CSi4 tetrahedra.

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DOE OSTI2020

Materials Data on Si3N2 by Materials Project

Si3N2 is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one Si3N2 cluster. Si+1.33+ is bonded in a bent 120 degrees geometry to two equivalent N2- atoms. Both Si–N bond lengths are 1.76 Å. N2- is bonded in a trigonal planar geometry to three equivalent Si+1.33+ atoms.

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DOE OSTI2020

Materials Data on HgN by Materials Project

HgN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent N2- atoms to form corner-sharing HgN4 tetrahedra. There are one shorter (2.20 Å) and three longer (2.27 Å) Hg–N bond lengths. N2- is bonded to four equivalent Hg2+ atoms to form corner-sharing NHg4 tetrahedra.

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DOE OSTI2020

Materials Data on PdN by Materials Project

PdN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pd2+ is bonded to four equivalent N2- atoms to form corner-sharing PdN4 tetrahedra. All Pd–N bond lengths are 2.06 Å. N2- is bonded to four equivalent Pd2+ atoms to form corner-sharing NPd4 tetrahedra.

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DOE OSTI2020

Materials Data on Rb4NO by Materials Project

Rb4NO is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded to two equivalent N2- and two equivalent O2- atoms to form a mixture of corner and edge-sharing RbN2O2 tetrahedra. Both Rb–N bond lengths are 3.06 Å. Both Rb–O bond lengths are 3.02 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

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DOE OSTI2020

Materials Data on PdN by Materials Project

PdN is Boron Nitride structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two PdN sheets oriented in the (0, 0, 1) direction. Pd2+ is bonded in a trigonal planar geometry to three equivalent N2- atoms. All Pd–N bond lengths are 1.95 Å. N2- is bonded in a trigonal planar geometry to three equivalent Pd2+ atoms.

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DOE OSTI2020

Materials Data on PdN by Materials Project

PdN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of face, edge, and corner-sharing PdN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Pd–N bond lengths are 2.22 Å. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing NPd6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZnN by Materials Project

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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZnN by Materials Project

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°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZnN by Materials Project

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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CdN by Materials Project

CdN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent N2- atoms to form a mixture of edge, face, and corner-sharing CdN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–N bond lengths are 2.43 Å. N2- is bonded to six equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing NCd6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CdN by Materials Project

CdN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent N2- atoms. All Cd–N bond lengths are 2.59 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZrN2 by Materials Project

ZrN2 is Calaverite structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZrN2 sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to six equivalent N2- atoms to form distorted edge-sharing ZrN6 octahedra. All Zr–N bond lengths are 2.19 Å. N2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CdN by Materials Project

CdN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent N2- atoms to form a mixture of corner and edge-sharing CdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–N bond lengths are 2.38 Å. N2- is bonded to six equivalent Cd2+ atoms to form a mixture of corner and edge-sharing NCd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CdN by Materials Project

CdN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge, corner, and face-sharing CdN6 pentagonal pyramids. All Cd–N bond lengths are 2.44 Å. N2- is bonded to six equivalent Cd2+ atoms to form a mixture of distorted edge, corner, and face-sharing NCd6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PdN by Materials Project

PdN is Halite, Rock Salt structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of edge and corner-sharing PdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.22 Å) and two longer (2.23 Å) Pd–N bond lengths. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of edge and corner-sharing NPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PdN by Materials Project

PdN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd2+ is bonded in a body-centered cubic geometry to eight equivalent N2- atoms. All Pd–N bond lengths are 2.41 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Pd2+ atoms.

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