Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Tl”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tl3Ir(NO2)6 by Materials Project

IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoTl3 by Materials Project

HoTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Tl atoms to form HoTl12 cuboctahedra that share corners with twelve equivalent HoTl12 cuboctahedra, edges with twenty-four equivalent TlHo4Tl8 cuboctahedra, faces with six equivalent HoTl12 cuboctahedra, and faces with twelve equivalent TlHo4Tl8 cuboctahedra. All Ho–Tl bond lengths are 3.37 Å. Tl is bonded to four equivalent Ho and eight equivalent Tl atoms to form TlHo4Tl8 cuboctahedra that share corners with twelve equivalent TlHo4Tl8 cuboctahedra, edges with eight equivalent HoTl12 cuboctahedra, edges with sixteen equivalent TlHo4Tl8 cuboctahedra, faces with four equivalent HoTl12 cuboctahedra, and faces with fourteen equivalent TlHo4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTl3 by Materials Project

PrTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Tl atoms to form PrTl12 cuboctahedra that share corners with twelve equivalent PrTl12 cuboctahedra, edges with twenty-four equivalent TlPr4Tl8 cuboctahedra, faces with six equivalent PrTl12 cuboctahedra, and faces with twelve equivalent TlPr4Tl8 cuboctahedra. All Pr–Tl bond lengths are 3.44 Å. Tl is bonded to four equivalent Pr and eight equivalent Tl atoms to form distorted TlPr4Tl8 cuboctahedra that share corners with twelve equivalent TlPr4Tl8 cuboctahedra, edges with eight equivalent PrTl12 cuboctahedra, edges with sixteen equivalent TlPr4Tl8 cuboctahedra, faces with four equivalent PrTl12 cuboctahedra, and faces with fourteen equivalent TlPr4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdTl3 by Materials Project

GdTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Tl atoms to form GdTl12 cuboctahedra that share corners with twelve equivalent GdTl12 cuboctahedra, edges with twenty-four equivalent TlGd4Tl8 cuboctahedra, faces with six equivalent GdTl12 cuboctahedra, and faces with twelve equivalent TlGd4Tl8 cuboctahedra. All Gd–Tl bond lengths are 3.40 Å. Tl is bonded to four equivalent Gd and eight equivalent Tl atoms to form distorted TlGd4Tl8 cuboctahedra that share corners with twelve equivalent TlGd4Tl8 cuboctahedra, edges with eight equivalent GdTl12 cuboctahedra, edges with sixteen equivalent TlGd4Tl8 cuboctahedra, faces with four equivalent GdTl12 cuboctahedra, and faces with fourteen equivalent TlGd4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.40 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuTl3 by Materials Project

LuTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Tl atoms to form LuTl12 cuboctahedra that share corners with twelve equivalent LuTl12 cuboctahedra, edges with twenty-four equivalent TlLu4Tl8 cuboctahedra, faces with six equivalent LuTl12 cuboctahedra, and faces with twelve equivalent TlLu4Tl8 cuboctahedra. All Lu–Tl bond lengths are 3.36 Å. Tl is bonded to four equivalent Lu and eight equivalent Tl atoms to form TlLu4Tl8 cuboctahedra that share corners with twelve equivalent TlLu4Tl8 cuboctahedra, edges with eight equivalent LuTl12 cuboctahedra, edges with sixteen equivalent TlLu4Tl8 cuboctahedra, faces with four equivalent LuTl12 cuboctahedra, and faces with fourteen equivalent TlLu4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeTl3 by Materials Project

CeTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Tl atoms to form CeTl12 cuboctahedra that share corners with twelve equivalent CeTl12 cuboctahedra, edges with twenty-four equivalent TlCe4Tl8 cuboctahedra, faces with six equivalent CeTl12 cuboctahedra, and faces with twelve equivalent TlCe4Tl8 cuboctahedra. All Ce–Tl bond lengths are 3.41 Å. Tl is bonded to four equivalent Ce and eight equivalent Tl atoms to form distorted TlCe4Tl8 cuboctahedra that share corners with twelve equivalent TlCe4Tl8 cuboctahedra, edges with eight equivalent CeTl12 cuboctahedra, edges with sixteen equivalent TlCe4Tl8 cuboctahedra, faces with four equivalent CeTl12 cuboctahedra, and faces with fourteen equivalent TlCe4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThTl3 by Materials Project

ThTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Tl atoms to form ThTl12 cuboctahedra that share corners with twelve equivalent ThTl12 cuboctahedra, edges with twenty-four equivalent TlTh4Tl8 cuboctahedra, faces with six equivalent ThTl12 cuboctahedra, and faces with twelve equivalent TlTh4Tl8 cuboctahedra. All Th–Tl bond lengths are 3.42 Å. Tl is bonded to four equivalent Th and eight equivalent Tl atoms to form TlTh4Tl8 cuboctahedra that share corners with twelve equivalent TlTh4Tl8 cuboctahedra, edges with eight equivalent ThTl12 cuboctahedra, edges with sixteen equivalent TlTh4Tl8 cuboctahedra, faces with four equivalent ThTl12 cuboctahedra, and faces with fourteen equivalent TlTh4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UTl3 by Materials Project

UTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Tl atoms to form UTl12 cuboctahedra that share corners with twelve equivalent UTl12 cuboctahedra, edges with twenty-four equivalent TlU4Tl8 cuboctahedra, faces with six equivalent UTl12 cuboctahedra, and faces with twelve equivalent TlU4Tl8 cuboctahedra. All U–Tl bond lengths are 3.37 Å. Tl is bonded to four equivalent U and eight equivalent Tl atoms to form TlU4Tl8 cuboctahedra that share corners with twelve equivalent TlU4Tl8 cuboctahedra, edges with eight equivalent UTl12 cuboctahedra, edges with sixteen equivalent TlU4Tl8 cuboctahedra, faces with four equivalent UTl12 cuboctahedra, and faces with fourteen equivalent TlU4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YTl3 by Materials Project

YTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Tl atoms to form YTl12 cuboctahedra that share corners with twelve equivalent YTl12 cuboctahedra, edges with twenty-four equivalent TlY4Tl8 cuboctahedra, faces with six equivalent YTl12 cuboctahedra, and faces with twelve equivalent TlY4Tl8 cuboctahedra. All Y–Tl bond lengths are 3.38 Å. Tl is bonded to four equivalent Y and eight equivalent Tl atoms to form distorted TlY4Tl8 cuboctahedra that share corners with twelve equivalent TlY4Tl8 cuboctahedra, edges with eight equivalent YTl12 cuboctahedra, edges with sixteen equivalent TlY4Tl8 cuboctahedra, faces with four equivalent YTl12 cuboctahedra, and faces with fourteen equivalent TlY4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyTl3 by Materials Project

DyTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Tl atoms to form DyTl12 cuboctahedra that share corners with twelve equivalent DyTl12 cuboctahedra, edges with twenty-four equivalent TlDy4Tl8 cuboctahedra, faces with six equivalent DyTl12 cuboctahedra, and faces with twelve equivalent TlDy4Tl8 cuboctahedra. All Dy–Tl bond lengths are 3.38 Å. Tl is bonded to four equivalent Dy and eight equivalent Tl atoms to form distorted TlDy4Tl8 cuboctahedra that share corners with twelve equivalent TlDy4Tl8 cuboctahedra, edges with eight equivalent DyTl12 cuboctahedra, edges with sixteen equivalent TlDy4Tl8 cuboctahedra, faces with four equivalent DyTl12 cuboctahedra, and faces with fourteen equivalent TlDy4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTl3 by Materials Project

ErTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Tl atoms to form ErTl12 cuboctahedra that share corners with twelve equivalent ErTl12 cuboctahedra, edges with twenty-four equivalent TlEr4Tl8 cuboctahedra, faces with six equivalent ErTl12 cuboctahedra, and faces with twelve equivalent TlEr4Tl8 cuboctahedra. All Er–Tl bond lengths are 3.37 Å. Tl is bonded to four equivalent Er and eight equivalent Tl atoms to form TlEr4Tl8 cuboctahedra that share corners with twelve equivalent TlEr4Tl8 cuboctahedra, edges with eight equivalent ErTl12 cuboctahedra, edges with sixteen equivalent TlEr4Tl8 cuboctahedra, faces with four equivalent ErTl12 cuboctahedra, and faces with fourteen equivalent TlEr4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlSn by Materials Project

TlSn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tl is bonded to four equivalent Tl and eight equivalent Sn atoms to form TlTl4Sn8 cuboctahedra that share corners with twelve equivalent TlTl4Sn8 cuboctahedra, edges with eight equivalent TlTl4Sn8 cuboctahedra, edges with sixteen equivalent SnTl8Sn4 cuboctahedra, faces with eight equivalent SnTl8Sn4 cuboctahedra, and faces with ten equivalent TlTl4Sn8 cuboctahedra. All Tl–Tl bond lengths are 3.35 Å. All Tl–Sn bond lengths are 3.55 Å. Sn is bonded to eight equivalent Tl and four equivalent Sn atoms to form SnTl8Sn4 cuboctahedra that share corners with twelve equivalent SnTl8Sn4 cuboctahedra, edges with eight equivalent SnTl8Sn4 cuboctahedra, edges with sixteen equivalent TlTl4Sn8 cuboctahedra, faces with eight equivalent TlTl4Sn8 cuboctahedra, and faces with ten equivalent SnTl8Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl5SbO5 by Materials Project

Tl5SbO5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are six inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.51 Å) and two longer (2.60 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Tl–O bond lengths are 2.52 Å. In the third Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.51–3.12 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.46–2.91 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.48–2.62 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.53–3.15 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.01–2.09 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.01–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Tl1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded to three Tl1+ and one Sb5+ atom to form distorted corner-sharing OTl3Sb tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Tl1+ and one Sb5+ atom. In the seventh O2- site, O2- is bonded to three Tl1+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al13(TlS7)3 by Materials Project

Al13(TlS7)3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.23–3.87 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.17–3.92 Å. In the third Tl1+ site, Tl1+ is bonded in a 12-coordinate geometry to eleven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.43–3.89 Å. In the fourth Tl1+ site, Tl1+ is bonded to twelve S2- atoms to form TlS12 cuboctahedra that share corners with ten AlS4 tetrahedra and edges with nine AlS4 tetrahedra. There are a spread of Tl–S bond distances ranging from 3.43–3.83 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–4.04 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.27–3.91 Å. There are fourteen inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share a cornercorner with one TlS12 cuboctahedra and corners with seven AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.19–2.32 Å. In the second Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share a cornercorner with one TlS12 cuboctahedra and corners with six AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.22–2.35 Å. In the third Al3+ site, Al3+ is bonded to four S2- atoms to form corner-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.20–2.32 Å. In the fourth Al3+ site, Al3+ is bonded to four S2- atoms to form corner-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.23–2.35 Å. In the fifth Al3+ site, Al3+ is bonded to four S2- atoms to form corner-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.21–2.31 Å. In the sixth Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with six AlS4 tetrahedra and an edgeedge with one TlS12 cuboctahedra. There are a spread of Al–S bond distances ranging from 2.21–2.33 Å. In the seventh Al3+ site, Al3+ is bonded to four S2- atoms to form corner-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.23–2.36 Å. In the eighth Al3+ site, Al3+ is bonded to four S2- atoms to form corner-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.19–2.34 Å. In the ninth Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with two equivalent TlS12 cuboctahedra and corners with six AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.23–2.32 Å. In the tenth Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share a cornercorner with one TlS12 cuboctahedra and corners with six AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.23–2.31 Å. In the eleventh Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with six AlS4 tetrahedra and an edgeedge with one TlS12 cuboctahedra. There are a spread of Al–S bond distances ranging from 2.21–2.34 Å. In the twelfth Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with six AlS4 tetrahedra and an edgeedge with one TlS12 cuboctahedra. There are a spread of Al–S bond distances ranging from 2.21–2.34 Å. In the thirteenth Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with six AlS4 tetrahedra and an edgeedge with one TlS12 cuboctahedra. There are a spread of Al–S bond distances ranging from 2.23–2.32 Å. In the fourteenth Al3+ site, Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share a cornercorner with one TlS12 cuboctahedra, corners with six AlS4 tetrahedra, and an edgeedge with one TlS12 cuboctahedra. There are a spread of Al–S bond distances ranging from 2.23–2.34 Å. There are twenty-four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Tl1+ and two Al3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two Tl1+ and two Al3+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the fourth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the fifth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two Tl1+ and two Al3+ atoms. In the seventh S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the eighth S2- site, S2- is bonded in a water-like geometry to two Tl1+ and two Al3+ atoms. In the ninth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the tenth S2- site, S2- is bonded in a distorted water-like geometry to two Tl1+ and two Al3+ atoms. In the eleventh S2- site, S2- is bonded in a 2-coordinate geometry to two Tl1+ and two equivalent Al3+ atoms. In the twelfth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the thirteenth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the fourteenth S2- site, S2- is bonded in a distorted water-like geometry to two Tl1+ and two Al3+ atoms. In the fifteenth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the sixteenth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the seventeenth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the eighteenth S2- site, S2- is bonded in a distorted water-like geometry to two Tl1+ and two Al3+ atoms. In the nineteenth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Tl1+ and three Al3+ atoms. In the twentieth S2- site, S2- is bonded in a water-like geometry to two Tl1+ and two Al3+ atoms. In the twenty-first S2- site, S2- is bonded in a distorted water-like geometry to two Tl1+ and two Al3+ atoms. In the twenty-second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the twenty-third S2- site, S2- is bonded in a distorted water-like geometry to two Tl1+ and two Al3+ atoms. In the twenty-fourth S2- site, S2- is bonded in a 2-coordinate geometry to two Tl1+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2GeTe3 by Materials Project

Tl2GeTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to one Tl1+ and seven Te2- atoms. The Tl–Tl bond length is 3.62 Å. There are a spread of Tl–Te bond distances ranging from 3.27–4.29 Å. In the second Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to two Tl1+ and eight Te2- atoms. The Tl–Tl bond length is 3.60 Å. There are a spread of Tl–Te bond distances ranging from 3.43–3.84 Å. Ge4+ is bonded to four Te2- atoms to form edge-sharing GeTe4 tetrahedra. There are a spread of Ge–Te bond distances ranging from 2.63–2.70 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+, one Ge4+, and one Te2- atom. The Te–Te bond length is 3.49 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+, two equivalent Ge4+, and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent Tl1+ and two equivalent Ge4+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Tl1+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaTl2 by Materials Project

Tl2Ba crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve equivalent Tl atoms. There are six shorter (3.57 Å) and six longer (4.03 Å) Ba–Tl bond lengths. Tl is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent Tl atoms. There are three shorter (3.21 Å) and one longer (3.54 Å) Tl–Tl bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlBi2 by Materials Project

TlBi2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tl is bonded in a 2-coordinate geometry to two equivalent Tl and twelve equivalent Bi atoms. Both Tl–Tl bond lengths are 3.45 Å. All Tl–Bi bond lengths are 3.72 Å. Bi is bonded to six equivalent Tl and five equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing BiTl6Bi5 trigonal bipyramids. There are three shorter (3.30 Å) and two longer (3.45 Å) Bi–Bi bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuTl2 by Materials Project

EuTl2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to twelve equivalent Tl atoms. There are six shorter (3.41 Å) and six longer (3.83 Å) Eu–Tl bond lengths. Tl is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Tl atoms. There are three shorter (3.08 Å) and one longer (3.29 Å) Tl–Tl bond lengths.

36 MATERIALS SCIENCE↗