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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one ReN2 sheet oriented in the (0, 0, 1) direction. Re6+ is bonded to six N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. There are a spread of Re–N bond distances ranging from 2.04–2.10 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.40 Å. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent Re6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 is Ilmenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. All Re–N bond lengths are 2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 is Ilmenite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. All Re–N bond lengths are 2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 is Brookite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 31–57°. There are a spread of Re–N bond distances ranging from 1.86–2.29 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three equivalent Re6+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent Re6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form ReN6 octahedra that share corners with three equivalent NRe3N tetrahedra and edges with six equivalent ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.07–2.14 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.38 Å. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN6 octahedra, corners with two equivalent NRe3N tetrahedra, and edges with two equivalent NRe3N tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Re–N bond lengths are 2.22 Å. N3- is bonded in a 5-coordinate geometry to four equivalent Re6+ and one N3- atom. The N–N bond length is 1.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 is Corundum-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form edge-sharing ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.09–2.13 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 is Ilmenite-derived structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form edge-sharing ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.10–2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReN2 by Materials Project

ReN2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing ReN6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Re–N bond distances ranging from 1.98–2.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Re6+ and one N3- atom. The N–N bond length is 1.29 Å. In the second N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent Re6+ atoms.

36 MATERIALS SCIENCE↗