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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnCrTe2 by Materials Project

CrMnTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cr–Te bond lengths are 2.81 Å. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with six equivalent MnTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.84 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+ and three equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCr3Te4 by Materials Project

Cr3MnTe4 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with twelve CrTe6 octahedra, edges with two equivalent CrTe6 octahedra, edges with four equivalent MnTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Cr–Te bond lengths are 2.85 Å. In the second Cr2+ site, Cr2+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with four equivalent MnTe6 octahedra, corners with eight equivalent CrTe6 octahedra, edges with six CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.84 Å) and two longer (2.85 Å) Cr–Te bond lengths. In the third Cr2+ site, Cr2+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with four equivalent CrTe6 octahedra, corners with eight equivalent MnTe6 octahedra, edges with six CrTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are two shorter (2.82 Å) and four longer (2.84 Å) Cr–Te bond lengths. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with twelve CrTe6 octahedra, edges with two equivalent MnTe6 octahedra, edges with four equivalent CrTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.86 Å) and four longer (2.87 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four Cr2+ and two equivalent Mn2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to five Cr2+ and one Mn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCr3Te4 by Materials Project

Cr3MnTe4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent CrTe6 octahedra, edges with four equivalent MnTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are two shorter (2.82 Å) and four longer (2.84 Å) Cr–Te bond lengths. In the second Cr2+ site, Cr2+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with six equivalent CrTe6 octahedra, corners with six equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, a faceface with one CrTe6 octahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–Te bond distances ranging from 2.80–2.85 Å. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent MnTe6 octahedra, edges with four equivalent CrTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are four shorter (2.85 Å) and two longer (2.86 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to five Cr2+ and one Mn2+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four Cr2+ and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3CrTe4 by Materials Project

CrMn3Te4 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr–Te bond lengths are 2.85 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.87 Å. In the second Mn2+ site, Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent CrTe6 octahedra, corners with six equivalent MnTe6 octahedra, edges with six equivalent MnTe6 octahedra, a faceface with one CrTe6 octahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.82 Å) and three longer (2.91 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+ and three equivalent Mn2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Mn2+ atoms.

36 MATERIALS SCIENCE↗