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Materials Data on TbMnGe by Materials Project

TbMnGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.97–3.01 Å. Mn is bonded in a 4-coordinate geometry to four equivalent Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.56–2.80 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb(MnGe)6 by Materials Project

TbMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to eight Ge atoms to form distorted edge-sharing TbGe8 hexagonal bipyramids. There are two shorter (2.81 Å) and six longer (3.00 Å) Tb–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.53–2.71 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Tb, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗

Materials Data on Tb(MnGe)2 by Materials Project

TbMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Tb–Ge bond lengths are 3.08 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.60 Å.

36 MATERIALS SCIENCE↗

Materials Data on Tb3(MnGe)4 by Materials Project

Tb3(MnGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Mn and six Ge atoms. There are two shorter (3.05 Å) and four longer (3.10 Å) Tb–Mn bond lengths. There are two shorter (2.98 Å) and four longer (3.03 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded to six Ge atoms to form TbGe6 octahedra that share corners with four equivalent MnTb3Ge4 tetrahedra, edges with two equivalent TbGe6 octahedra, and edges with eight equivalent MnTb3Ge4 tetrahedra. There are four shorter (2.97 Å) and two longer (3.04 Å) Tb–Ge bond lengths. Mn is bonded to three equivalent Tb and four Ge atoms to form distorted MnTb3Ge4 tetrahedra that share a cornercorner with one TbGe6 octahedra, corners with five equivalent MnTb3Ge4 tetrahedra, edges with two equivalent TbGe6 octahedra, edges with six equivalent MnTb3Ge4 tetrahedra, and faces with four equivalent MnTb3Ge4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Mn–Ge bond distances ranging from 2.54–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Tb and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.78 Å.

36 MATERIALS SCIENCE↗

Materials Data on TbMn5Ge3 by Materials Project

TbMn5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.17–3.22 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are a spread of Mn–Ge bond distances ranging from 2.64–2.68 Å. In the second Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are three shorter (2.70 Å) and one longer (2.73 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are a spread of Mn–Ge bond distances ranging from 2.64–2.73 Å. In the fourth Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are three shorter (2.67 Å) and one longer (2.73 Å) Mn–Ge bond lengths. 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 2.83–2.89 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms.

36 MATERIALS SCIENCE↗