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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnGa by Materials Project

MnGa is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded to four equivalent Mn and eight equivalent Ga atoms to form distorted MnMn4Ga8 cuboctahedra that share corners with twelve equivalent MnMn4Ga8 cuboctahedra, edges with eight equivalent MnMn4Ga8 cuboctahedra, edges with sixteen equivalent GaMn8Ga4 cuboctahedra, faces with eight equivalent GaMn8Ga4 cuboctahedra, and faces with ten equivalent MnMn4Ga8 cuboctahedra. All Mn–Mn bond lengths are 2.72 Å. All Mn–Ga bond lengths are 2.65 Å. Ga is bonded to eight equivalent Mn and four equivalent Ga atoms to form distorted GaMn8Ga4 cuboctahedra that share corners with twelve equivalent GaMn8Ga4 cuboctahedra, edges with eight equivalent GaMn8Ga4 cuboctahedra, edges with sixteen equivalent MnMn4Ga8 cuboctahedra, faces with eight equivalent MnMn4Ga8 cuboctahedra, and faces with ten equivalent GaMn8Ga4 cuboctahedra. All Ga–Ga bond lengths are 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2Ga5 by Materials Project

Mn2Ga5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mn is bonded to two equivalent Mn and ten Ga atoms to form a mixture of distorted corner, edge, and face-sharing MnMn2Ga10 cuboctahedra. Both Mn–Mn bond lengths are 2.70 Å. There are a spread of Mn–Ga bond distances ranging from 2.61–2.74 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mn and six Ga atoms. There are four shorter (2.66 Å) and two longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mn and six Ga atoms. There are two shorter (2.65 Å) and two longer (2.74 Å) Ga–Mn bond lengths. There are a spread of Ga–Ga bond distances ranging from 2.70–2.86 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mn and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.70–2.86 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mn and six Ga atoms. There are two shorter (2.65 Å) and two longer (2.74 Å) Ga–Mn bond lengths. There are a spread of Ga–Ga bond distances ranging from 2.66–2.86 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mn and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.86 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mn and six Ga atoms. There are two shorter (2.65 Å) and two longer (2.74 Å) Ga–Mn bond lengths. Both Ga–Ga bond lengths are 2.70 Å. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mn and six Ga atoms. Both Ga–Ga bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Ga by Materials Project

Mn3Ga 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 in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ga atoms. All Mn–Mn bond lengths are 2.49 Å. All Mn–Ga bond lengths are 2.49 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight equivalent Mn and six equivalent Ga atoms. All Mn–Ga bond lengths are 2.88 Å. Ga is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Ga by Materials Project

Mn3Ga is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Ga atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with twelve equivalent MnMn8Ga4 cuboctahedra, edges with eight equivalent GaMn12 cuboctahedra, edges with sixteen MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with fourteen MnMn8Ga4 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.67 Å) Mn–Mn bond lengths. All Mn–Ga bond lengths are 2.55 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Ga atoms to form MnMn8Ga4 cuboctahedra that share corners with four equivalent MnMn8Ga4 cuboctahedra, corners with eight equivalent GaMn12 cuboctahedra, edges with twenty-four MnMn8Ga4 cuboctahedra, faces with six equivalent GaMn12 cuboctahedra, and faces with twelve MnMn8Ga4 cuboctahedra. All Mn–Ga bond lengths are 2.67 Å. Ga is bonded to twelve Mn atoms to form GaMn12 cuboctahedra that share corners with four equivalent GaMn12 cuboctahedra, corners with eight equivalent MnMn8Ga4 cuboctahedra, edges with eight equivalent GaMn12 cuboctahedra, edges with sixteen equivalent MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with fourteen MnMn8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGa4 by Materials Project

MnGa4 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Mn–Ga bond lengths are 2.43 Å. Ga is bonded in a distorted linear geometry to two equivalent Mn atoms.

36 MATERIALS SCIENCE↗