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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li15Ge4 by Materials Project

Li15Ge4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to two equivalent Li and three equivalent Ge atoms. There are one shorter (2.76 Å) and one longer (2.81 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 2.64–2.83 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Ge atoms to form distorted LiLi8Ge4 cuboctahedra that share corners with eight equivalent GeLi12 cuboctahedra, edges with eight equivalent LiLi8Ge4 cuboctahedra, and faces with four equivalent GeLi12 cuboctahedra. All Li–Ge bond lengths are 2.89 Å. Ge is bonded to twelve Li atoms to form distorted GeLi12 cuboctahedra that share corners with six equivalent LiLi8Ge4 cuboctahedra, edges with six equivalent GeLi12 cuboctahedra, faces with three equivalent LiLi8Ge4 cuboctahedra, and faces with five equivalent GeLi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li9Ge4 by Materials Project

Li9Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Li9Ge4 sheets oriented in the (0, 0, 1) direction. there are five inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to two equivalent Li and six equivalent Ge atoms. Both Li–Li bond lengths are 2.80 Å. There are four shorter (2.84 Å) and two longer (2.85 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to one Li and three equivalent Ge atoms. The Li–Li bond length is 2.73 Å. There are one shorter (2.72 Å) and two longer (2.73 Å) Li–Ge bond lengths. In the third Li site, Li is bonded in a 11-coordinate geometry to eight Li and six Ge atoms. There are a spread of Li–Li bond distances ranging from 2.72–2.81 Å. There are a spread of Li–Ge bond distances ranging from 3.03–3.23 Å. In the fourth Li site, Li is bonded to three equivalent Li and four Ge atoms to form distorted edge-sharing LiLi3Ge4 tetrahedra. There are a spread of Li–Ge bond distances ranging from 2.52–2.75 Å. In the fifth Li site, Li is bonded in a 4-coordinate geometry to three equivalent Li and four Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.63–2.90 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to ten Li atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to ten Li and one Ge atom. The Ge–Ge bond length is 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li7Ge2 by Materials Project

Li7Ge2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are six inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to one Li and three Ge atoms. The Li–Li bond length is 2.55 Å. There are two shorter (2.69 Å) and one longer (2.70 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a 8-coordinate geometry to four equivalent Ge atoms. All Li–Ge bond lengths are 2.66 Å. In the third Li site, Li is bonded in a distorted body-centered cubic geometry to eight Li atoms. All Li–Li bond lengths are 2.68 Å. In the fourth Li site, Li is bonded in a 4-coordinate geometry to two equivalent Li and four Ge atoms. There are two shorter (2.78 Å) and two longer (2.81 Å) Li–Ge bond lengths. In the fifth Li site, Li is bonded in a 10-coordinate geometry to four Ge atoms. There are two shorter (2.70 Å) and two longer (2.98 Å) Li–Ge bond lengths. In the sixth Li site, Li is bonded in a 1-coordinate geometry to two equivalent Ge atoms. There are one shorter (2.70 Å) and one longer (2.94 Å) Li–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to eight Li atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to twelve Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li11Ge6 by Materials Project

Li11Ge6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to seven Li and four Ge atoms. There are a spread of Li–Li bond distances ranging from 2.56–2.91 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.84 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to two Li and five Ge atoms. The Li–Li bond length is 2.97 Å. There are a spread of Li–Ge bond distances ranging from 2.62–3.00 Å. In the third Li site, Li is bonded in a 10-coordinate geometry to five Li and ten Ge atoms. There are two shorter (2.89 Å) and one longer (2.92 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 3.00–3.09 Å. In the fourth Li site, Li is bonded in a 12-coordinate geometry to one Li and five Ge atoms. There are one shorter (2.65 Å) and four longer (2.78 Å) Li–Ge bond lengths. In the fifth Li site, Li is bonded in a distorted water-like geometry to four equivalent Li and two equivalent Ge atoms. Both Li–Ge bond lengths are 2.61 Å. In the sixth Li site, Li is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. There are a spread of Li–Ge bond distances ranging from 2.76–2.84 Å. In the seventh Li site, Li is bonded in a 3-coordinate geometry to four Li and five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.67–2.84 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to eleven Li atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the third Ge site, Ge is bonded in a 11-coordinate geometry to nine Li and two Ge atoms. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms. The Ge–Ge bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGe by Materials Project

Ge(Li) crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four Li and eight Ge atoms. All Li–Li bond lengths are 2.87 Å. There are four shorter (2.72 Å) and four longer (2.88 Å) Li–Ge bond lengths. In the second Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six equivalent LiLi4Ge8 cuboctahedra. Both Li–Li bond lengths are 2.70 Å. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. In the third Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six LiLi4Ge8 cuboctahedra. There are two shorter (2.70 Å) and two longer (2.87 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. In the fourth Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six LiLi4Ge8 cuboctahedra. Both Li–Li bond lengths are 2.70 Å. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. In the fifth Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six LiLi4Ge8 cuboctahedra. There are two shorter (2.70 Å) and two longer (2.87 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded to eight Li and four Ge atoms to form distorted GeLi8Ge4 cuboctahedra that share corners with four equivalent GeLi8Ge4 cuboctahedra, edges with sixteen LiLi4Ge8 cuboctahedra, faces with four LiLi4Ge8 cuboctahedra, and faces with four equivalent GeLi8Ge4 cuboctahedra. All Ge–Ge bond lengths are 2.72 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Li and two equivalent Ge atoms. Both Ge–Li bond lengths are 2.86 Å. Both Ge–Ge bond lengths are 2.72 Å. In the third Ge site, Ge is bonded in a 12-coordinate geometry to eight Li and two equivalent Ge atoms. Both Ge–Li bond lengths are 2.72 Å. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to eight Li and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Ge by Materials Project

Li3Ge is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Ge4 tetrahedra. All Li–Li bond lengths are 2.70 Å. All Li–Ge bond lengths are 2.70 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ge atoms. All Li–Ge bond lengths are 3.11 Å. Ge is bonded in a body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGe by Materials Project

Ge(Li) crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to seven equivalent Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.69–3.16 Å. Ge is bonded in a 10-coordinate geometry to seven equivalent Li and three equivalent Ge atoms. There are two shorter (2.57 Å) and one longer (2.67 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGe3 by Materials Project

LiGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ge atoms to form a mixture of edge, corner, and face-sharing LiGe12 cuboctahedra. There are four shorter (2.89 Å) and eight longer (2.98 Å) Li–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing GeLi4 cuboctahedra. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Li atoms.

36 MATERIALS SCIENCE↗