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DOE OSTI2020

Materials Data on ReC by Materials Project

ReC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing ReC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Re–C bond lengths are 2.18 Å. C4- is bonded to six equivalent Re4+ atoms to form a mixture of edge and corner-sharing CRe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Re2C by Materials Project

Re2C is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Re2C sheets oriented in the (0, 0, 1) direction. Re is bonded in a 3-coordinate geometry to three equivalent C atoms. All Re–C bond lengths are 2.17 Å. C is bonded to six equivalent Re atoms to form distorted edge-sharing CRe6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Re3C by Materials Project

Re3C is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Re and four equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing ReRe4C4 tetrahedra. All Re–Re bond lengths are 2.61 Å. All Re–C bond lengths are 2.61 Å. In the second Re site, Re is bonded in a distorted body-centered cubic geometry to eight equivalent Re atoms. C is bonded in a body-centered cubic geometry to eight equivalent Re atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ReC2 by Materials Project

ReC2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Re6+ is bonded in a body-centered cubic geometry to eight equivalent C3- atoms. All Re–C bond lengths are 2.26 Å. C3- is bonded in a 5-coordinate geometry to four equivalent Re6+ and one C3- atom. The C–C bond length is 1.42 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ReC2 by Materials Project

ReC2 is Corundum-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent C3- atoms to form distorted edge-sharing ReC6 pentagonal pyramids. All Re–C bond lengths are 2.13 Å. C3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one C3- atom. The C–C bond length is 1.39 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ReC2 by Materials Project

ReC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Re6+ is bonded in a distorted q6 geometry to ten equivalent C3- atoms. There are two shorter (2.25 Å) and eight longer (2.26 Å) Re–C bond lengths. C3- is bonded in a 5-coordinate geometry to five equivalent Re6+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ReC by Materials Project

ReC is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re4+ is bonded to four equivalent C4- atoms to form corner-sharing ReC4 tetrahedra. All Re–C bond lengths are 2.01 Å. C4- is bonded to four equivalent Re4+ atoms to form corner-sharing CRe4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ReC by Materials Project

ReC is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Re4+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All Re–C bond lengths are 2.34 Å. C4- is bonded in a body-centered cubic geometry to eight equivalent Re4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ReC by Materials Project

ReC is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Re4+ is bonded to six equivalent C4- atoms to form a mixture of distorted face, edge, and corner-sharing ReC6 pentagonal pyramids. All Re–C bond lengths are 2.18 Å. C4- is bonded to six equivalent Re4+ atoms to form a mixture of distorted face, edge, and corner-sharing CRe6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ReC2 by Materials Project

ReC2 is Corundum-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re6+ is bonded to six equivalent C3- atoms to form distorted edge-sharing ReC6 pentagonal pyramids. All Re–C bond lengths are 2.14 Å. C3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one C3- atom. The C–C bond length is 1.38 Å.

36 MATERIALS SCIENCE↗