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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TlPd3 by Materials Project

Pd3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Tl atoms to form PdTl4Pd8 cuboctahedra that share corners with four equivalent TlPd12 cuboctahedra, corners with sixteen PdTl4Pd8 cuboctahedra, edges with four equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, faces with five equivalent TlPd12 cuboctahedra, and faces with nine PdTl4Pd8 cuboctahedra. There are four shorter (2.85 Å) and four longer (2.88 Å) Pd–Pd bond lengths. All Pd–Tl bond lengths are 2.95 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent Tl atoms to form distorted PdTl4Pd4 cuboctahedra that share corners with eight equivalent TlPd12 cuboctahedra, corners with sixteen PdTl4Pd8 cuboctahedra, edges with four equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, and faces with six PdTl4Pd4 cuboctahedra. All Pd–Tl bond lengths are 2.87 Å. In the third Pd site, Pd is bonded to eight Pd and four equivalent Tl atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve PdTl4Pd4 cuboctahedra, edges with eight equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, faces with four equivalent TlPd12 cuboctahedra, and faces with fourteen PdTl4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å. All Pd–Tl bond lengths are 2.87 Å. Tl is bonded to twelve Pd atoms to form TlPd12 cuboctahedra that share corners with eight equivalent TlPd12 cuboctahedra, corners with twelve PdTl4Pd8 cuboctahedra, edges with four equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, faces with five equivalent TlPd12 cuboctahedra, and faces with nine PdTl4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlIn3 by Materials Project

Tl(In)3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one In sheet oriented in the (0, 0, 1) direction and one Tl sheet oriented in the (0, 0, 1) direction. In the In sheet, there are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight In atoms. There are four shorter (3.29 Å) and four longer (3.37 Å) In–In bond lengths. In the second In site, In is bonded to twelve In atoms to form a mixture of corner and face-sharing InIn12 cuboctahedra. All In–In bond lengths are 3.29 Å. In the Tl sheet, Tl is bonded in a square co-planar geometry to four equivalent Tl atoms. All Tl–Tl bond lengths are 3.29 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuTl3 by Materials Project

EuTl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded to twelve Tl atoms to form a mixture of corner and face-sharing EuTl12 cuboctahedra. There are a spread of Eu–Tl bond distances ranging from 3.44–3.64 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 4-coordinate geometry to four equivalent Eu atoms. In the second Tl site, Tl is bonded in a 4-coordinate geometry to four equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2TlCl5O2 by Materials Project

K2TlO2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to three O and six Cl atoms. There are a spread of K–O bond distances ranging from 2.75–2.99 Å. There are a spread of K–Cl bond distances ranging from 3.20–3.64 Å. In the second K site, K is bonded in a 8-coordinate geometry to two equivalent O and six Cl atoms. There are one shorter (2.79 Å) and one longer (3.04 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.15–3.57 Å. Tl is bonded to six Cl atoms to form edge-sharing TlCl6 octahedra. There are a spread of Tl–Cl bond distances ranging from 2.54–2.86 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted see-saw-like geometry to three K and one Cl atom. The O–Cl bond length is 1.63 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and one Cl atom. The O–Cl bond length is 2.39 Å. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Tl atoms. In the second Cl site, Cl is bonded in a 3-coordinate geometry to two equivalent K and one Tl atom. In the third Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent K, one Tl, and one O atom. In the fourth Cl site, Cl is bonded to two equivalent K, one Tl, and one O atom to form distorted corner-sharing ClK2TlO trigonal pyramids. In the fifth Cl site, Cl is bonded in a 5-coordinate geometry to four K and one Tl atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2Te(PO7)2 by Materials Project

Tl2Te(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl is bonded to five O atoms to form distorted TlO5 trigonal bipyramids that share corners with two equivalent TeO6 octahedra and corners with three equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Tl–O bond distances ranging from 2.16–2.28 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent TlO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.79 Å. Te is bonded to six O atoms to form TeO6 octahedra that share corners with four equivalent TlO5 trigonal bipyramids. There are four shorter (1.90 Å) and two longer (2.24 Å) Te–O bond lengths. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Tl and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Tl and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Tl and one Te atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Te and one O atom. The O–O bond length is 1.35 Å. In the fifth O site, O is bonded in a distorted water-like geometry to one P and one O atom. In the sixth O site, O is bonded in a distorted linear geometry to one Tl and one P atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Tl and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Inelastic dark matter scattering off Thallium cannot save DAMA

We study the compatibility of the observed DAMA modulation signal with inelastic scattering of dark matter (DM) off of the 0.1% Thallium (Tl) dopant in DAMA. In this work we test whether there exist regions of parameter space where the Tl interpretation gives a good fit to the most recent data from DAMA, and whether these regions are compatible with the latest constraints from other direct detection experiments. Previously, Chang et al. in 2010, had proposed the Tl interpretation of the DAMA data, and more recently (in 2019) the DAMA/LIBRA collaboration found regions in parameter space of Tl inelastic scattering that differ by more than 10σ from a no modulation hypothesis. We have expanded upon their work by testing whether the regions of parameter space where inelastic DM-Tl scattering gives a good fit to the most recent DAMA data survive the constraints placed by the lack of a DM signal in XENON1T and CRESST-II. In addition, we have tested how these regions change with the main sources of uncertainty: the Tl quenching factor, which has never been measured directly, and the astrophysical uncertainties in the DM distribution. We conclude that inelastic DM scattering off Tl cannot explain the DAMA data in light of null results from other experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Chemical and physical studies of type 3 chondrites. I - Metamorphism related studies of Antarctic and other type 3 ordinary chondrites

New thermoluminescence (TL) sensitivity measurements on 17 finds and one fall are presented, and petrologic assignments are made on the basis of TL sensitivity and silicate heterogeneity. The correlation that exists between TL sensitivity and glow curve shape is discussed, with the difference in the glow curve shapes of meteorite types 3.4 and less and type 3.5 and greater being tentatively attributed to an order-disorder transition in plagioclase, the TL phosphor. A correlation between TL sensitivity and heteogeneity of the silicate composition is found, but it tends to break down in the most heterogeneous meteorites. For Antarctic meteorites, the TL data show a much more restricted range in TL sensitivity than in silicate heterogeneity. The Quinyambie meteorite is the only one not consistent with the observed trend. Several explanations are offered, none of them totally satisfactory.

Sears, D. W.↗
NASA NTRS1988

Chemical and physical studies of type 3 chondrites. IX - Thermoluminescence and hydrothermal annealing experiments and their relationship to metamorphism and aqueous alteration in type below 3.3 ordinary chondrites

Thermoluminescence (TL) properties were measured in samples of four type-3.0 chondrites annealed at 400-850 C and 0.77-1 kbar in the presence of various amounts of water and sodium disilicate. Several changes recorded in TL characteristics, such as the lowering of TL sensitivity in certain samples, its increase in other samples, and changes in the peak position and peak width of TL suggested the occurrence of metamorphic processes in these samples. It is suggested that, for the chondrite types above 3.2, the observed changes in TL are consistent with the TL-metamorphism trends, being due to the formation of feldspar by the devitrification of chondrule glass during metamorphism. For types below 3.2, the TL data are consistent with the hypothesis that these chondrules experienced lower levels of metamorphism than the higher types or, alternatively, with the hypothesis that the type 3.0 chondrules are being produced from higher types by aqueous alteration.

Guimon, R. Kyle↗
NASA NTRS1995

Chemical and physical studies of type 3 chondrites 12: The metamorphic history of CV chondrites and their components

The induced thermoluminescence (TL) properties of 16 CV and CV-related chondrites, four CK chondrites and Renazzo (CR2) have been measured in order to investigate their metamorphic history. The petrographic, mineralogical and bulk compositional differences among the CV chondrites indicate that the TL sensitivity of the approximately 130 C TL peak is reflecting the abundance of ordered feldspar, especially in chondrule mesostasis, which in turn reflects parent-body metamorphism. The TL properties of 18 samples of homogenized Allende powder heated at a variety of times and temperatures, and cathodoluminescence mosaics of Axtell and Coolidge, showed results consistent with this conclusion. Five refractory inclusions from Allende, and separates from those inclusions, were also examined and yielded trends reflecting variations in mineralogy indicative of high peak temperatures (either metamorphic or igneous) and fairly rapid cooling. The CK chondrites are unique among metamorphosed chondrites in showing no detectable induced TL, which is consistent with literature data that suggests very unusual feldspar in these meteorites. Using TL sensitivity and several mineral systems and allowing for the differences in the oxidized and reduced subgroups, the CV and CV-related meteorites can be divided into petrologic types analogous to those of the ordinary and CO type 3 chondrites. Axtell, Kaba, Leoville, Bali, Arch and ALHA81003 are type 3.0-3.1, while ALH84018, Efremovka, Grosnaja, Allende and Vigarano are type 3.2-3.3 and Coolidge and Loongana 001 are type 3.8. Mokoia is probably a breccia with regions ranging in petrologic type from 3.0 to 3.2. Renazzo often plots at the end of the reduced and oxidized CV chondrite trends, even when those trends diverge, suggesting that in many respects it resembles the unmetamorphosed precursors of the CV chondrites. The low-petrographic types and low-TL peak temperatures of all samples, including the CV3.8 chondrites, indicates metamorphism in the stability field of low feldspar (i.e., less than 800 C) and a metamorphic history similar to that of the CO chondrites but unlike that of the ordinary chondrites.

Guimon, R. Kyle↗
NASA NTRS1995

Metamorphism and aqueous alteration in low petrographic type ordinary chondrites

In order to investigate the relative importance of dry metamorphism and aqueous alteration in the history of chondruies, chondruies were hand-picked from the Semarkona (petrographic type 3.0), Bishunpur (3. 1), Chainpur (3.4), Dhajala (3.8) and Allegan (5) chondrites, and matrix samples were extracted from the first three ordinary chondrites. The thermoluminescence (TL) properties of all the samples were measured, and appropriate subsets of the samples were analyzed by electron-microprobe and radiochemical neutron activation and the water and H-isotopic composition determined. The TL data for chondrules from Semarkona and Bishunpur scatter widely showing no unambiguous trends, although group B1 chondrules tend to have lower sensitivities and lower peak temperatures compared with group A5 chondrules. It is argued that these data reflect the variety of processes accompanying chondrule formation. The chondrules show remarkably uniform contents of the highly labile elements, indicating mineralogical control on abundance and volatile loss from silicates and loss and recondensation of mobile chalcophiles and siderophiles in some cases. Very high D/H values (up to approx. 8000% SMOW) are observed in certain Semarkona chondrules, a confirmation of earlier work. With increasing petrographic type, mean TL sensitivities of the chondrules increase, the spread of values within an individual meteorite decreases, and peak temperatures and peak widths show trends indicating that the TL is mainly produced by feldspar and that dry, thermal metamorphism is the dominant secondary process experienced by the chondrules. The TL sensitivities of matrix samples also increase with petrographic type. Chainpur matrix samples show the same spread of peak temperatures and peak widths as Chainpur chondruies, indicating metamorphism-related changes in the feldspar are responsible for the TL of the matrix. The TL data for the Semarkona and Bishunpur matrix samples provide, at best, only weak evidence for aqueous alteration, but the matrix contains H with approximately terrestrial D/H values, even though it contains much water. Secondary processes (probably aqueous alteration) presumably lowered the D/H of the matrix and certain chondrules. While chondrule properties appear to be governed primarily by formation processes and subsequent metamorphism, the matrix of Semarkona has a more complex history involving aqueous alteration as a meteorite-wide process.

Xie, T.↗
DOE OSTI2020

Materials Data on SmTl3 by Materials Project

SmTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Tl atoms to form SmTl12 cuboctahedra that share corners with twelve equivalent SmTl12 cuboctahedra, edges with twenty-four equivalent TlSm4Tl8 cuboctahedra, faces with six equivalent SmTl12 cuboctahedra, and faces with twelve equivalent TlSm4Tl8 cuboctahedra. All Sm–Tl bond lengths are 3.41 Å. Tl is bonded to four equivalent Sm and eight equivalent Tl atoms to form distorted TlSm4Tl8 cuboctahedra that share corners with twelve equivalent TlSm4Tl8 cuboctahedra, edges with eight equivalent SmTl12 cuboctahedra, edges with sixteen equivalent TlSm4Tl8 cuboctahedra, faces with four equivalent SmTl12 cuboctahedra, and faces with fourteen equivalent TlSm4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TlC by Materials Project

Sc2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 3-coordinate geometry to three equivalent Tl and three equivalent C atoms. All Sc–Tl bond lengths are 3.26 Å. All Sc–C bond lengths are 2.30 Å. Tl is bonded to six equivalent Sc and six equivalent Tl atoms to form distorted TlSc6Tl6 cuboctahedra that share corners with six equivalent TlSc6Tl6 cuboctahedra, corners with six equivalent CSc6 octahedra, edges with six equivalent TlSc6Tl6 cuboctahedra, edges with six equivalent CSc6 octahedra, and faces with six equivalent TlSc6Tl6 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. All Tl–Tl bond lengths are 3.38 Å. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent TlSc6Tl6 cuboctahedra, edges with six equivalent TlSc6Tl6 cuboctahedra, and edges with six equivalent CSc6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2B4O7 by Materials Project

Tl2B4O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.54–2.77 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.71–3.62 Å. In the third Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Tl–O bond distances ranging from 2.61–3.37 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.61–3.37 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.64–3.39 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.51–3.38 Å. There are twelve inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.53 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.51 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.41 Å) B–O bond length. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.51 Å. In the sixth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the seventh B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.50 Å. In the eighth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the ninth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.53 Å. In the tenth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the eleventh B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. In the twelfth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. There are twenty-one inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Tl1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Tl1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Tl1+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Tl1+ and two B3+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and two B3+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the sixteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tl1+ and two B3+ atoms. In the eighteenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Tl1+ and two B3+ atoms. In the nineteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the twentieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the twenty-first O2- site, O2- is bonded in a bent 120 degrees geometry to two Tl1+ and two B3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3GeTe3 by Materials Project

Tl3GeTe3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.34–3.88 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.41–3.77 Å. In the third Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to six Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.33–4.24 Å. In the fourth Tl1+ site, Tl1+ is bonded in a distorted square pyramidal geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.34–3.53 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.38–3.80 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to six Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.40–4.25 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.61 Å) and two longer (2.63 Å) Ge–Te bond lengths. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.61–2.63 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to five Tl1+ and one Ge3+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Ge3+ atom. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to five Tl1+ and one Ge3+ atom. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Ge3+ atom. In the fifth Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Ge3+ atom. In the sixth Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Ge3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbTl3 by Materials Project

TbTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Tl atoms to form TbTl12 cuboctahedra that share corners with twelve equivalent TbTl12 cuboctahedra, edges with twenty-four equivalent TlTb4Tl8 cuboctahedra, faces with six equivalent TbTl12 cuboctahedra, and faces with twelve equivalent TlTb4Tl8 cuboctahedra. All Tb–Tl bond lengths are 3.38 Å. Tl is bonded to four equivalent Tb and eight equivalent Tl atoms to form distorted TlTb4Tl8 cuboctahedra that share corners with twelve equivalent TlTb4Tl8 cuboctahedra, edges with eight equivalent TbTl12 cuboctahedra, edges with sixteen equivalent TlTb4Tl8 cuboctahedra, faces with four equivalent TbTl12 cuboctahedra, and faces with fourteen equivalent TlTb4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaTl3 by Materials Project

LaTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Tl atoms to form LaTl12 cuboctahedra that share corners with twelve equivalent LaTl12 cuboctahedra, edges with twenty-four equivalent TlLa4Tl8 cuboctahedra, faces with six equivalent LaTl12 cuboctahedra, and faces with twelve equivalent TlLa4Tl8 cuboctahedra. All La–Tl bond lengths are 3.47 Å. Tl is bonded to four equivalent La and eight equivalent Tl atoms to form distorted TlLa4Tl8 cuboctahedra that share corners with twelve equivalent TlLa4Tl8 cuboctahedra, edges with eight equivalent LaTl12 cuboctahedra, edges with sixteen equivalent TlLa4Tl8 cuboctahedra, faces with four equivalent LaTl12 cuboctahedra, and faces with fourteen equivalent TlLa4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.47 Å.

36 MATERIALS SCIENCE↗
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↗