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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnReO4 by Materials Project

ReMnO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Re–O bond distances ranging from 1.83–2.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mn–O bond distances ranging from 2.16–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn(ReO4)2 by Materials Project

Mn(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Mn(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Mn–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Re7+ and one Mn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn(ReO4)2 by Materials Project

Mn(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Mn(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Mn–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Mn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3ReO6 by Materials Project

Mn2MnReO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Re–O bond distances ranging from 1.93–1.98 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.15 Å) and one longer (2.21 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Mn–O bond distances ranging from 2.12–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two Mn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two Mn2+ atoms. In the third O2- site, O2- is bonded to one Re6+ and three Mn2+ atoms to form distorted corner-sharing OMn3Re tetrahedra.

36 MATERIALS SCIENCE↗