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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn3Ge by Materials Project

Mn3Ge is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to eight equivalent Mn and four equivalent Ge atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with twelve equivalent MnMn8Ge4 cuboctahedra, edges with eight equivalent GeMn12 cuboctahedra, edges with sixteen equivalent MnMn8Ge4 cuboctahedra, faces with four equivalent GeMn12 cuboctahedra, and faces with fourteen equivalent MnMn8Ge4 cuboctahedra. All Mn–Mn bond lengths are 2.58 Å. All Mn–Ge bond lengths are 2.58 Å. Ge is bonded to twelve equivalent Mn atoms to form GeMn12 cuboctahedra that share corners with twelve equivalent GeMn12 cuboctahedra, edges with twenty-four equivalent MnMn8Ge4 cuboctahedra, faces with six equivalent GeMn12 cuboctahedra, and faces with twelve equivalent MnMn8Ge4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5Ge3 by Materials Project

Mn5Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.46–2.72 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.46–2.72 Å. In the third Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. All Mn–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5Ge2 by Materials Project

Mn5Ge2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. All Mn–Ge bond lengths are 2.53 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. Both Mn–Mn bond lengths are 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.56–2.66 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Ge bond lengths. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.54 Å) and one longer (2.64 Å) Mn–Mn bond lengths. There are two shorter (2.53 Å) and two longer (2.56 Å) Mn–Ge bond lengths. In the fifth Mn site, Mn is bonded to eight Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.51–2.66 Å. There are a spread of Mn–Ge bond distances ranging from 2.52–2.55 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. The Mn–Mn bond length is 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. The Mn–Mn bond length is 2.52 Å. There are a spread of Mn–Ge bond distances ranging from 2.56–2.65 Å. In the eighth Mn site, Mn is bonded in a 4-coordinate geometry to six Mn and four Ge atoms. There are one shorter (2.50 Å) and one longer (2.55 Å) Mn–Mn bond lengths. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the ninth Mn site, Mn is bonded to eight Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.55 Å) Mn–Ge bond lengths. In the tenth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.57 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn11Ge8 by Materials Project

Mn11Ge8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are nine inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.66 Å. In the second Mn site, Mn is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.49–2.71 Å. In the third Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.41–2.66 Å. In the fourth Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.49–2.55 Å. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.50 Å. In the sixth Mn site, Mn is bonded to seven Ge atoms to form a mixture of face and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.60–2.72 Å. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.82 Å. In the eighth Mn site, Mn is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.49–2.73 Å. In the ninth Mn site, Mn is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.85 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to seven Mn and two equivalent Ge atoms. There are one shorter (2.47 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to eight Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Ge by Materials Project

Mn3Ge is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing MnMn4Ge4 tetrahedra. All Mn–Mn bond lengths are 2.50 Å. All Mn–Ge bond lengths are 2.50 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight equivalent Mn and six equivalent Ge atoms. All Mn–Ge bond lengths are 2.88 Å. Ge is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2Ge by Materials Project

Mn2Ge is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Mn–Mn bond lengths are 2.37 Å. All Mn–Ge bond lengths are 2.37 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to four equivalent Mn and six equivalent Ge atoms. All Mn–Ge bond lengths are 2.73 Å. Ge is bonded in a 4-coordinate geometry to ten Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Ge by Materials Project

Mn3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Ge atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent GeMn12 cuboctahedra, corners with fourteen MnMn8Ge4 cuboctahedra, edges with six equivalent GeMn12 cuboctahedra, edges with twelve MnMn8Ge4 cuboctahedra, faces with four equivalent GeMn12 cuboctahedra, and faces with sixteen MnMn8Ge4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.51–2.67 Å. There are two shorter (2.59 Å) and two longer (2.60 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Ge atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent GeMn12 cuboctahedra, corners with fourteen MnMn8Ge4 cuboctahedra, edges with six equivalent GeMn12 cuboctahedra, edges with twelve equivalent MnMn8Ge4 cuboctahedra, faces with four equivalent GeMn12 cuboctahedra, and faces with sixteen MnMn8Ge4 cuboctahedra. There are two shorter (2.59 Å) and two longer (2.60 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded to eight equivalent Mn and four equivalent Ge atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent GeMn12 cuboctahedra, corners with fourteen MnMn8Ge4 cuboctahedra, edges with six equivalent GeMn12 cuboctahedra, edges with twelve equivalent MnMn8Ge4 cuboctahedra, faces with four equivalent GeMn12 cuboctahedra, and faces with sixteen MnMn8Ge4 cuboctahedra. There are two shorter (2.59 Å) and two longer (2.60 Å) Mn–Ge bond lengths. Ge is bonded to twelve Mn atoms to form GeMn12 cuboctahedra that share corners with six equivalent GeMn12 cuboctahedra, corners with twelve MnMn8Ge4 cuboctahedra, edges with eighteen MnMn8Ge4 cuboctahedra, faces with eight equivalent GeMn12 cuboctahedra, and faces with twelve MnMn8Ge4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Ge5 by Materials Project

Mn3Ge5 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are four shorter (2.40 Å) and two longer (2.65 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (2.47 Å) and four longer (2.53 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.40–2.64 Å. In the fourth Mn site, Mn is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.37–2.84 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Mn atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five Mn atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Mn atoms.

36 MATERIALS SCIENCE↗