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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YTh by Materials Project

ThY is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six equivalent Y atoms to form ThY6Th6 cuboctahedra that share corners with twelve ThY6Th6 cuboctahedra, edges with twelve ThY6Th6 cuboctahedra, edges with twelve equivalent YY6Th6 cuboctahedra, faces with six equivalent ThY6Th6 cuboctahedra, and faces with twelve equivalent YY6Th6 cuboctahedra. All Th–Th bond lengths are 3.56 Å. All Th–Y bond lengths are 3.57 Å. In the second Th site, Th is bonded to six equivalent Th and six Y atoms to form ThY6Th6 cuboctahedra that share corners with five equivalent YY10Th6 cuboctahedra, corners with twelve ThY6Th6 cuboctahedra, edges with ten YY6Th6 cuboctahedra, edges with twelve ThY6Th6 cuboctahedra, faces with six equivalent ThY6Th6 cuboctahedra, and faces with fifteen YY6Th6 cuboctahedra. All Th–Th bond lengths are 3.56 Å. All Th–Y bond lengths are 3.57 Å. In the third Th site, Th is bonded to six equivalent Th and six Y atoms to form ThY6Th6 cuboctahedra that share corners with five equivalent YY10Th6 cuboctahedra, corners with twelve ThY6Th6 cuboctahedra, edges with ten YY6Th6 cuboctahedra, edges with twelve ThY6Th6 cuboctahedra, faces with six equivalent ThY6Th6 cuboctahedra, and faces with fifteen YY6Th6 cuboctahedra. All Th–Th bond lengths are 3.56 Å. All Th–Y bond lengths are 3.57 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to six Th and six equivalent Y atoms to form YY6Th6 cuboctahedra that share corners with twelve YY6Th6 cuboctahedra, edges with twelve ThY6Th6 cuboctahedra, edges with twelve YY6Th6 cuboctahedra, faces with six equivalent YY6Th6 cuboctahedra, and faces with twelve ThY6Th6 cuboctahedra. All Y–Y bond lengths are 3.56 Å. In the second Y site, Y is bonded to six Th and ten equivalent Y atoms to form YY10Th6 cuboctahedra that share corners with ten ThY6Th6 cuboctahedra, corners with twelve YY6Th6 cuboctahedra, edges with eight ThY6Th6 cuboctahedra, edges with sixteen YY6Th6 cuboctahedra, faces with sixteen equivalent YY10Th6 cuboctahedra, and faces with eighteen ThY6Th6 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.56–7.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th5OF19 by Materials Project

Th5OF19 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to one O and eight F atoms. The Th–O bond length is 2.19 Å. There are a spread of Th–F bond distances ranging from 2.29–2.55 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Th–F bond distances ranging from 2.17–2.65 Å. In the third Th site, Th is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Th–F bond distances ranging from 2.24–2.53 Å. O is bonded in a single-bond geometry to one Th atom. There are eight inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two equivalent Th atoms. In the second F site, F is bonded in a linear geometry to two equivalent Th atoms. In the third F site, F is bonded in a distorted trigonal planar geometry to three Th atoms. In the fourth F site, F is bonded in a distorted linear geometry to two Th atoms. In the fifth F site, F is bonded in a distorted linear geometry to two Th atoms. In the sixth F site, F is bonded in a bent 120 degrees geometry to two equivalent Th atoms. In the seventh F site, F is bonded in a trigonal planar geometry to three Th atoms. In the eighth F site, F is bonded in a trigonal planar geometry to three Th atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Global Geochemical Variation on the Lunar Surface: A Three-Element Approach

We present a method for displaying the relative abundances of three important elements (Th, Fe, and Ti) on the same map projection of the lunar surface. Using Th-, Fe-, and Ti-elemental abundances from orbital geochemical data and assigning each element a primary color, a false-color map of the lunar surface was created. This approach is similar to the ternary diagram approach presented by Davis and Spudis with some important differences, discussed later. For the present maps, Th abundances were measured by the Lunar Prospector (LP) Gamma-Ray Spectrometer(GRS).The new LPGRS low-altitude dataset was used in this analysis. Iron and Ti weight percentages were based on Clementine spectral reflectance data smoothed to the LP low altitude footprint. This method of presentation was designed to aid in the location and recognition of three principal lunar compositions: ferroan anorthosite (FAN), mare basalts (MB), and the Mg suite/ KREEP-rich rocks on the lunar surface, with special emphasis on the highlands and specific impact basins. In addition to the recognition of these endmember rock compositions, this method is an attempt to examine the relationship between elemental compositions that do not conform readily to previously accepted or observed endmember rocks in various specific regions of interest, including eastern highlands regions centered on 150 deg longitude, and a northern highlands Th-rich region observed. The LP low-altitude data has full width at half-maximum spatial resolution of about 40 km. The Clementine spectral reflectance datasets were adapted using an equal-area, gaussian smoothing routine to this footprint. In addition, these datasets, reported in weight percent of FeO and of Ti02, were adjusted to Fe and Ti weight percentages. Each dataset was then assigned one of the three primary colors: blue for Th, red for Fe, and green for Ti. For each element, the data range was normalized to represent the ratio of each point to the maximum in the dataset. (To view the color table, go to http://cass.jsc.nasa.gov/meetings/moon99/pdf/8033.pdf.) The full range of lunar longitudes is represented, but due to the lack of coverage of the Clementine data for latitudes > 70 deg and <-70 deg, the data for these regions is excluded. The differences between this approach and the ternary diagram approach of Davis and Spudis eliminate some of the uncertainty and ambiguity of the ternary diagram approach. Rather than using a ratio of Th to Ti normalized to CI chondritic ratios, and a ternary diagram with ternary apexes located at specific endmember compositional values, elemental compositions were used independently, eliminating the errors resulting from dividing numbers that can have high uncertainties, especially at low concentration. The three elements used in this method of presentation were chosen for several reasons. One reason for the inclusion of Th in this study is that it is an accurate indicator of KREEP. Iron and Ti concentrations are both low in highland regolith, causing any small fluctuations in Th to stand out very well. In addition, Fe and Ti are good compositional indicators of different mare basalts. Mixed with red for Fe, the green for Ti produces a yellow signal in high-Ti basalts. While universally high in Fe relative to the surrounding highlands, mare basalts have a diverse range of Ti values, making Ti concentration a valuable asset to the classification and identification of different basalt types. Finally, an important constraint in element selection is the availability of the global data, both from LP and Clementine results. Data for Th, Fe, and Ti are among the highest quality of existing lunar remote-sensing data. In addition, LP data for Fe and Ti will become available, enabling these data to be incorporated into the analysis. Using upper-limit values for end member rock compositions calculated from Korotev et al., attempts were made to locate the different endmember compositions of terranes on this diagram. Most strikingly, ferroan anorthosite (Th < and = 0.37 micro g/g; Fe (wt%)< and =2.29; Ti (wt%) < and = 0.22), which should appear as an almost black, reddish color, does not appear on the diagram at any noticeable frequency. Based on this analysis, the suggestion of extensive FAN regions on the lunar surface is not strong, especially at the presently accepted values for Fe and Th. However, to make sure this effect is not due to systematic errors, a thorough investigation of the precision, accuracy, and uncertainties of the Fe, Ti, and Th abundances needs to be carried out, especially at low concentrations. A particular region of interest is an area of high Th concentrations relative to Fe and Ti content north and east of Humboldtianum Crater. First observed by Lawrence et al., this region does not coincide with any visible impact structure and comprises one of the closest approximations to pure blue (high Th, very low Ti and Fe) on the lunar surface. Such an elemental composition does not lend itself readily to classification, and presents something of an anomaly. More detailed analysis of this region is needed to understand its structure and origin. There seems to be a longitudinal asymmetry in the Th concentrations of the highlands regolith. High-Th, low-Ti, and Fe regions are located between 135 deg and 180 deg longitude and between -30 deg and +30 deg latitude. While the Th levels are not high enough to attract attention in a single elemental display, the variation in the abundance of Th relative to Fe and Ti abundances can be clearly seen. The composition that these data suggest is not well represented in the sample return suite. In addition, these regions were largely missed by the Apollo orbital ground tracks, which only covered the outer edge of the areas of interest. The LP orbital Th data represent the first information about the Th concentrations in these regions of the highlands. Additional information contained in original.

Thomsen, D. R.↗
DOE OSTI2020

Materials Data on ThCu6 by Materials Project

ThCu6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 8-coordinate geometry to nineteen Cu atoms. There are a spread of Th–Cu bond distances ranging from 2.90–3.41 Å. In the second Th site, Th is bonded in a 8-coordinate geometry to nineteen Cu atoms. There are a spread of Th–Cu bond distances ranging from 2.91–3.40 Å. There are twelve inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Th and eight Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.25 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Th and eight Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.21 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three Th and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.47–2.80 Å. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to three Th and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.46–2.79 Å. In the fifth Cu site, Cu is bonded in a 2-coordinate geometry to four Th and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.56–2.69 Å. In the sixth Cu site, Cu is bonded in a 2-coordinate geometry to four Th and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–2.69 Å. In the seventh Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Th and seven Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.45–2.58 Å. In the eighth Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Th and seven Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.45–2.58 Å. In the ninth Cu site, Cu is bonded to three Th and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuTh3Cu9 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.71 Å) Cu–Cu bond lengths. In the tenth Cu site, Cu is bonded to three Th and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuTh3Cu9 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.71 Å) Cu–Cu bond lengths. In the eleventh Cu site, Cu is bonded to three Th and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuTh3Cu9 cuboctahedra. In the twelfth Cu site, Cu is bonded to three Th and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuTh3Cu9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2P3O13 by Materials Project

Th2P3O13 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 5-coordinate geometry to eight O atoms. There are a spread of Th–O bond distances ranging from 2.26–2.96 Å. In the second Th site, Th is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Th–O bond distances ranging from 2.28–2.70 Å. There are three inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the third P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Th and one P atom. In the second O site, O is bonded in a single-bond geometry to one Th atom. In the third O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two Th and one P atom. In the fifth O site, O is bonded in a linear geometry to one Th and one P atom. In the sixth O site, O is bonded in a 1-coordinate geometry to two Th and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Th and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one P atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Th and one P atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Th and one P atom. In the eleventh O site, O is bonded in a linear geometry to one Th and one P atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to two Th and one P atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Th and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th7Pt3 by Materials Project

Th7Pt3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are five inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three Pt atoms. All Th–Pt bond lengths are 3.08 Å. In the second Th site, Th is bonded in a 3-coordinate geometry to three Pt atoms. There are two shorter (2.94 Å) and one longer (3.00 Å) Th–Pt bond lengths. In the third Th site, Th is bonded in a 3-coordinate geometry to three Pt atoms. There are two shorter (2.94 Å) and one longer (3.00 Å) Th–Pt bond lengths. In the fourth Th site, Th is bonded in a distorted L-shaped geometry to two equivalent Pt atoms. Both Th–Pt bond lengths are 2.97 Å. In the fifth Th site, Th is bonded in a distorted L-shaped geometry to two Pt atoms. Both Th–Pt bond lengths are 2.97 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six Th atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTh by Materials Project

ThEr is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Er atoms to form ThEr6Th6 cuboctahedra that share corners with twelve ThEr6Th6 cuboctahedra, edges with twelve ThEr6Th6 cuboctahedra, edges with twelve ErEr6Th6 cuboctahedra, faces with six equivalent ThEr6Th6 cuboctahedra, and faces with twelve ErEr6Th6 cuboctahedra. All Th–Th bond lengths are 3.54 Å. All Th–Er bond lengths are 3.53 Å. In the second Th site, Th is bonded to ten equivalent Th and six Er atoms to form ThEr6Th10 cuboctahedra that share corners with ten ErEr6Th6 cuboctahedra, corners with twelve ThEr6Th6 cuboctahedra, edges with eight ErEr6Th6 cuboctahedra, edges with sixteen ThEr6Th6 cuboctahedra, faces with sixteen equivalent ThEr6Th10 cuboctahedra, and faces with eighteen ErEr6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.54–7.08 Å. All Th–Er bond lengths are 3.53 Å. There are three inequivalent Er sites. In the first Er site, Er is bonded to six equivalent Th and six equivalent Er atoms to form ErEr6Th6 cuboctahedra that share corners with twelve ErEr6Th6 cuboctahedra, edges with twelve equivalent ThEr6Th6 cuboctahedra, edges with twelve ErEr6Th6 cuboctahedra, faces with six equivalent ErEr6Th6 cuboctahedra, and faces with twelve equivalent ThEr6Th6 cuboctahedra. All Er–Er bond lengths are 3.54 Å. In the second Er site, Er is bonded to six Th and six equivalent Er atoms to form ErEr6Th6 cuboctahedra that share corners with five equivalent ThEr6Th10 cuboctahedra, corners with twelve ErEr6Th6 cuboctahedra, edges with ten ThEr6Th6 cuboctahedra, edges with twelve ErEr6Th6 cuboctahedra, faces with six equivalent ErEr6Th6 cuboctahedra, and faces with fifteen ThEr6Th6 cuboctahedra. All Er–Th bond lengths are 3.53 Å. All Er–Er bond lengths are 3.54 Å. In the third Er site, Er is bonded to six Th and six equivalent Er atoms to form ErEr6Th6 cuboctahedra that share corners with five equivalent ThEr6Th10 cuboctahedra, corners with twelve ErEr6Th6 cuboctahedra, edges with ten ThEr6Th6 cuboctahedra, edges with twelve ErEr6Th6 cuboctahedra, faces with six equivalent ErEr6Th6 cuboctahedra, and faces with fifteen ThEr6Th6 cuboctahedra. All Er–Er bond lengths are 3.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Th5OF22 by Materials Project

(Li2Th5F22)2O2 crystallizes in the tetragonal P42_12 space group. The structure is three-dimensional and consists of two water molecules and one Li2Th5F22 framework. In the Li2Th5F22 framework, Li is bonded to six F atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Li–F bond distances ranging from 1.73–2.00 Å. There are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Th–F bond distances ranging from 2.32–2.51 Å. In the second Th site, Th is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Th–F bond distances ranging from 2.32–2.50 Å. In the third Th site, Th is bonded in a 8-coordinate geometry to eight F atoms. All Th–F bond lengths are 2.39 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a distorted T-shaped geometry to one Li and two Th atoms. In the second F site, F is bonded in a distorted linear geometry to two equivalent Li and two equivalent Th atoms. In the third F site, F is bonded in a bent 150 degrees geometry to two Th atoms. In the fourth F site, F is bonded in a bent 150 degrees geometry to two Th atoms. In the fifth F site, F is bonded in a linear geometry to two Th atoms. In the sixth F site, F is bonded in a distorted T-shaped geometry to one Li and two Th atoms. In the seventh F site, F is bonded in a distorted linear geometry to two equivalent Li and two equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTh by Materials Project

ThNd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Nd atoms to form ThNd6Th6 cuboctahedra that share corners with twelve ThNd6Th6 cuboctahedra, edges with twelve ThNd6Th6 cuboctahedra, edges with twelve NdNd6Th6 cuboctahedra, faces with six equivalent ThNd6Th6 cuboctahedra, and faces with twelve NdNd6Th6 cuboctahedra. All Th–Th bond lengths are 3.59 Å. All Th–Nd bond lengths are 3.63 Å. In the second Th site, Th is bonded to ten equivalent Th and six Nd atoms to form ThNd6Th10 cuboctahedra that share corners with ten NdNd6Th6 cuboctahedra, corners with twelve ThNd6Th6 cuboctahedra, edges with eight NdNd6Th6 cuboctahedra, edges with sixteen ThNd6Th6 cuboctahedra, faces with sixteen equivalent ThNd6Th10 cuboctahedra, and faces with eighteen NdNd6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.59–7.18 Å. All Th–Nd bond lengths are 3.63 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded to six equivalent Th and six equivalent Nd atoms to form NdNd6Th6 cuboctahedra that share corners with twelve NdNd6Th6 cuboctahedra, edges with twelve equivalent ThNd6Th6 cuboctahedra, edges with twelve NdNd6Th6 cuboctahedra, faces with six equivalent NdNd6Th6 cuboctahedra, and faces with twelve equivalent ThNd6Th6 cuboctahedra. All Nd–Nd bond lengths are 3.59 Å. In the second Nd site, Nd is bonded to six Th and six equivalent Nd atoms to form NdNd6Th6 cuboctahedra that share corners with five equivalent ThNd6Th10 cuboctahedra, corners with twelve NdNd6Th6 cuboctahedra, edges with ten ThNd6Th6 cuboctahedra, edges with twelve NdNd6Th6 cuboctahedra, faces with six equivalent NdNd6Th6 cuboctahedra, and faces with fifteen ThNd6Th6 cuboctahedra. All Nd–Th bond lengths are 3.63 Å. All Nd–Nd bond lengths are 3.59 Å. In the third Nd site, Nd is bonded to six Th and six equivalent Nd atoms to form NdNd6Th6 cuboctahedra that share corners with five equivalent ThNd6Th10 cuboctahedra, corners with twelve NdNd6Th6 cuboctahedra, edges with ten ThNd6Th6 cuboctahedra, edges with twelve NdNd6Th6 cuboctahedra, faces with six equivalent NdNd6Th6 cuboctahedra, and faces with fifteen ThNd6Th6 cuboctahedra. All Nd–Nd bond lengths are 3.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSiSe by Materials Project

ThSiSe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to four Si and five Se atoms. All Th–Si bond lengths are 3.04 Å. There are four shorter (3.02 Å) and one longer (3.24 Å) Th–Se bond lengths. In the second Th site, Th is bonded in a 9-coordinate geometry to four Si and five Se atoms. All Th–Si bond lengths are 3.04 Å. There are four shorter (3.02 Å) and one longer (3.24 Å) Th–Se bond lengths. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Si atoms. All Si–Si bond lengths are 2.83 Å. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Si atoms. In the third Si site, Si is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Si atoms. All Si–Si bond lengths are 2.83 Å. In the fourth Si site, Si is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Si atoms. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to five Th atoms. In the second Se site, Se is bonded in a 5-coordinate geometry to five Th atoms. In the third Se site, Se is bonded in a 5-coordinate geometry to five Th atoms. There are four shorter (3.02 Å) and one longer (3.24 Å) Se–Th bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSc by Materials Project

ThSc crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Sc atoms to form ThTh6Sc6 cuboctahedra that share corners with twelve ThTh6Sc6 cuboctahedra, edges with twelve ThTh6Sc6 cuboctahedra, edges with twelve ScTh6Sc6 cuboctahedra, faces with six equivalent ThTh6Sc6 cuboctahedra, and faces with twelve ScTh6Sc6 cuboctahedra. All Th–Th bond lengths are 3.46 Å. All Th–Sc bond lengths are 3.39 Å. In the second Th site, Th is bonded to ten equivalent Th and six Sc atoms to form ThTh10Sc6 cuboctahedra that share corners with ten ScTh6Sc6 cuboctahedra, corners with twelve ThTh6Sc6 cuboctahedra, edges with eight ScTh6Sc6 cuboctahedra, edges with sixteen ThTh6Sc6 cuboctahedra, faces with sixteen equivalent ThTh10Sc6 cuboctahedra, and faces with eighteen ScTh6Sc6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.46–6.92 Å. All Th–Sc bond lengths are 3.39 Å. There are three inequivalent Sc sites. In the first Sc site, Sc is bonded to six equivalent Th and six equivalent Sc atoms to form ScTh6Sc6 cuboctahedra that share corners with twelve ScTh6Sc6 cuboctahedra, edges with twelve equivalent ThTh6Sc6 cuboctahedra, edges with twelve ScTh6Sc6 cuboctahedra, faces with six equivalent ScTh6Sc6 cuboctahedra, and faces with twelve equivalent ThTh6Sc6 cuboctahedra. All Sc–Sc bond lengths are 3.46 Å. In the second Sc site, Sc is bonded to six Th and six equivalent Sc atoms to form ScTh6Sc6 cuboctahedra that share corners with five equivalent ThTh10Sc6 cuboctahedra, corners with twelve ScTh6Sc6 cuboctahedra, edges with ten ThTh6Sc6 cuboctahedra, edges with twelve ScTh6Sc6 cuboctahedra, faces with six equivalent ScTh6Sc6 cuboctahedra, and faces with fifteen ThTh6Sc6 cuboctahedra. All Sc–Th bond lengths are 3.39 Å. All Sc–Sc bond lengths are 3.46 Å. In the third Sc site, Sc is bonded to six Th and six equivalent Sc atoms to form ScTh6Sc6 cuboctahedra that share corners with five equivalent ThTh10Sc6 cuboctahedra, corners with twelve ScTh6Sc6 cuboctahedra, edges with ten ThTh6Sc6 cuboctahedra, edges with twelve ScTh6Sc6 cuboctahedra, faces with six equivalent ScTh6Sc6 cuboctahedra, and faces with fifteen ThTh6Sc6 cuboctahedra. All Sc–Sc bond lengths are 3.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuTh by Materials Project

PuTh is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to six equivalent Pu and six equivalent Th atoms to form PuPu6Th6 cuboctahedra that share corners with twelve PuPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, edges with twelve equivalent ThPu6Th6 cuboctahedra, faces with six equivalent PuPu6Th6 cuboctahedra, and faces with twelve equivalent ThPu6Th6 cuboctahedra. All Pu–Pu bond lengths are 3.49 Å. All Pu–Th bond lengths are 3.45 Å. In the second Pu site, Pu is bonded to six equivalent Pu and six Th atoms to form PuPu6Th6 cuboctahedra that share corners with five equivalent ThPu6Th10 cuboctahedra, corners with twelve PuPu6Th6 cuboctahedra, edges with ten ThPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, faces with six equivalent PuPu6Th6 cuboctahedra, and faces with fifteen ThPu6Th6 cuboctahedra. All Pu–Pu bond lengths are 3.49 Å. All Pu–Th bond lengths are 3.45 Å. In the third Pu site, Pu is bonded to six equivalent Pu and six Th atoms to form PuPu6Th6 cuboctahedra that share corners with five equivalent ThPu6Th10 cuboctahedra, corners with twelve PuPu6Th6 cuboctahedra, edges with ten ThPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, faces with six equivalent PuPu6Th6 cuboctahedra, and faces with fifteen ThPu6Th6 cuboctahedra. All Pu–Pu bond lengths are 3.49 Å. All Pu–Th bond lengths are 3.45 Å. There are two inequivalent Th sites. In the first Th site, Th is bonded to six Pu and six equivalent Th atoms to form ThPu6Th6 cuboctahedra that share corners with twelve ThPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, edges with twelve ThPu6Th6 cuboctahedra, faces with six equivalent ThPu6Th6 cuboctahedra, and faces with twelve PuPu6Th6 cuboctahedra. All Th–Th bond lengths are 3.49 Å. In the second Th site, Th is bonded to six Pu and ten equivalent Th atoms to form ThPu6Th10 cuboctahedra that share corners with ten PuPu6Th6 cuboctahedra, corners with twelve ThPu6Th6 cuboctahedra, edges with eight PuPu6Th6 cuboctahedra, edges with sixteen ThPu6Th6 cuboctahedra, faces with sixteen equivalent ThPu6Th10 cuboctahedra, and faces with eighteen PuPu6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.49–6.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuTh by Materials Project

ThLu is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Lu atoms to form ThLu6Th6 cuboctahedra that share corners with twelve ThLu6Th6 cuboctahedra, edges with twelve ThLu6Th6 cuboctahedra, edges with twelve LuLu6Th6 cuboctahedra, faces with six equivalent ThLu6Th6 cuboctahedra, and faces with twelve LuLu6Th6 cuboctahedra. All Th–Th bond lengths are 3.52 Å. All Th–Lu bond lengths are 3.50 Å. In the second Th site, Th is bonded to ten equivalent Th and six Lu atoms to form ThLu6Th10 cuboctahedra that share corners with ten LuLu6Th6 cuboctahedra, corners with twelve ThLu6Th6 cuboctahedra, edges with eight LuLu6Th6 cuboctahedra, edges with sixteen ThLu6Th6 cuboctahedra, faces with sixteen equivalent ThLu6Th10 cuboctahedra, and faces with eighteen LuLu6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.52–7.04 Å. All Th–Lu bond lengths are 3.50 Å. There are three inequivalent Lu sites. In the first Lu site, Lu is bonded to six equivalent Th and six equivalent Lu atoms to form LuLu6Th6 cuboctahedra that share corners with twelve LuLu6Th6 cuboctahedra, edges with twelve equivalent ThLu6Th6 cuboctahedra, edges with twelve LuLu6Th6 cuboctahedra, faces with six equivalent LuLu6Th6 cuboctahedra, and faces with twelve equivalent ThLu6Th6 cuboctahedra. All Lu–Lu bond lengths are 3.52 Å. In the second Lu site, Lu is bonded to six Th and six equivalent Lu atoms to form LuLu6Th6 cuboctahedra that share corners with five equivalent ThLu6Th10 cuboctahedra, corners with twelve LuLu6Th6 cuboctahedra, edges with ten ThLu6Th6 cuboctahedra, edges with twelve LuLu6Th6 cuboctahedra, faces with six equivalent LuLu6Th6 cuboctahedra, and faces with fifteen ThLu6Th6 cuboctahedra. All Lu–Th bond lengths are 3.50 Å. All Lu–Lu bond lengths are 3.52 Å. In the third Lu site, Lu is bonded to six Th and six equivalent Lu atoms to form LuLu6Th6 cuboctahedra that share corners with five equivalent ThLu6Th10 cuboctahedra, corners with twelve LuLu6Th6 cuboctahedra, edges with ten ThLu6Th6 cuboctahedra, edges with twelve LuLu6Th6 cuboctahedra, faces with six equivalent LuLu6Th6 cuboctahedra, and faces with fifteen ThLu6Th6 cuboctahedra. All Lu–Lu bond lengths are 3.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoTh by Materials Project

ThHo is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Ho atoms to form ThHo6Th6 cuboctahedra that share corners with twelve ThHo6Th6 cuboctahedra, edges with twelve ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent ThHo6Th6 cuboctahedra, and faces with twelve HoHo6Th6 cuboctahedra. All Th–Th bond lengths are 3.55 Å. All Th–Ho bond lengths are 3.54 Å. In the second Th site, Th is bonded to ten equivalent Th and six Ho atoms to form ThHo6Th10 cuboctahedra that share corners with ten HoHo6Th6 cuboctahedra, corners with twelve ThHo6Th6 cuboctahedra, edges with eight HoHo6Th6 cuboctahedra, edges with sixteen ThHo6Th6 cuboctahedra, faces with sixteen equivalent ThHo6Th10 cuboctahedra, and faces with eighteen HoHo6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.55–7.10 Å. All Th–Ho bond lengths are 3.54 Å. There are three inequivalent Ho sites. In the first Ho site, Ho is bonded to six equivalent Th and six equivalent Ho atoms to form HoHo6Th6 cuboctahedra that share corners with twelve HoHo6Th6 cuboctahedra, edges with twelve equivalent ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent HoHo6Th6 cuboctahedra, and faces with twelve equivalent ThHo6Th6 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å. In the second Ho site, Ho is bonded to six Th and six equivalent Ho atoms to form HoHo6Th6 cuboctahedra that share corners with five equivalent ThHo6Th10 cuboctahedra, corners with twelve HoHo6Th6 cuboctahedra, edges with ten ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent HoHo6Th6 cuboctahedra, and faces with fifteen ThHo6Th6 cuboctahedra. All Ho–Th bond lengths are 3.54 Å. All Ho–Ho bond lengths are 3.55 Å. In the third Ho site, Ho is bonded to six Th and six equivalent Ho atoms to form HoHo6Th6 cuboctahedra that share corners with five equivalent ThHo6Th10 cuboctahedra, corners with twelve HoHo6Th6 cuboctahedra, edges with ten ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent HoHo6Th6 cuboctahedra, and faces with fifteen ThHo6Th6 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmTh by Materials Project

ThSm crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Sm atoms to form ThSm6Th6 cuboctahedra that share corners with twelve ThSm6Th6 cuboctahedra, edges with twelve ThSm6Th6 cuboctahedra, edges with twelve SmSm6Th6 cuboctahedra, faces with six equivalent ThSm6Th6 cuboctahedra, and faces with twelve SmSm6Th6 cuboctahedra. All Th–Th bond lengths are 3.57 Å. All Th–Sm bond lengths are 3.61 Å. In the second Th site, Th is bonded to ten equivalent Th and six Sm atoms to form ThSm6Th10 cuboctahedra that share corners with ten SmSm6Th6 cuboctahedra, corners with twelve ThSm6Th6 cuboctahedra, edges with eight SmSm6Th6 cuboctahedra, edges with sixteen ThSm6Th6 cuboctahedra, faces with sixteen equivalent ThSm6Th10 cuboctahedra, and faces with eighteen SmSm6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.57–7.15 Å. All Th–Sm bond lengths are 3.61 Å. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded to six equivalent Th and six equivalent Sm atoms to form SmSm6Th6 cuboctahedra that share corners with twelve SmSm6Th6 cuboctahedra, edges with twelve equivalent ThSm6Th6 cuboctahedra, edges with twelve SmSm6Th6 cuboctahedra, faces with six equivalent SmSm6Th6 cuboctahedra, and faces with twelve equivalent ThSm6Th6 cuboctahedra. All Sm–Sm bond lengths are 3.57 Å. In the second Sm site, Sm is bonded to six Th and six equivalent Sm atoms to form SmSm6Th6 cuboctahedra that share corners with five equivalent ThSm6Th10 cuboctahedra, corners with twelve SmSm6Th6 cuboctahedra, edges with ten ThSm6Th6 cuboctahedra, edges with twelve SmSm6Th6 cuboctahedra, faces with six equivalent SmSm6Th6 cuboctahedra, and faces with fifteen ThSm6Th6 cuboctahedra. All Sm–Th bond lengths are 3.61 Å. All Sm–Sm bond lengths are 3.57 Å. In the third Sm site, Sm is bonded to six Th and six equivalent Sm atoms to form SmSm6Th6 cuboctahedra that share corners with five equivalent ThSm6Th10 cuboctahedra, corners with twelve SmSm6Th6 cuboctahedra, edges with ten ThSm6Th6 cuboctahedra, edges with twelve SmSm6Th6 cuboctahedra, faces with six equivalent SmSm6Th6 cuboctahedra, and faces with fifteen ThSm6Th6 cuboctahedra. All Sm–Sm bond lengths are 3.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaTh by Materials Project

ThLa crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six La atoms to form ThLa6Th6 cuboctahedra that share corners with twelve ThLa6Th6 cuboctahedra, edges with twelve ThLa6Th6 cuboctahedra, edges with twelve LaLa6Th6 cuboctahedra, faces with six equivalent ThLa6Th6 cuboctahedra, and faces with twelve LaLa6Th6 cuboctahedra. All Th–Th bond lengths are 3.61 Å. All Th–La bond lengths are 3.65 Å. In the second Th site, Th is bonded to ten equivalent Th and six La atoms to form ThLa6Th10 cuboctahedra that share corners with ten LaLa6Th6 cuboctahedra, corners with twelve ThLa6Th6 cuboctahedra, edges with eight LaLa6Th6 cuboctahedra, edges with sixteen ThLa6Th6 cuboctahedra, faces with sixteen equivalent ThLa6Th10 cuboctahedra, and faces with eighteen LaLa6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.61–7.23 Å. All Th–La bond lengths are 3.65 Å. There are three inequivalent La sites. In the first La site, La is bonded to six equivalent Th and six equivalent La atoms to form LaLa6Th6 cuboctahedra that share corners with twelve LaLa6Th6 cuboctahedra, edges with twelve equivalent ThLa6Th6 cuboctahedra, edges with twelve LaLa6Th6 cuboctahedra, faces with six equivalent LaLa6Th6 cuboctahedra, and faces with twelve equivalent ThLa6Th6 cuboctahedra. All La–La bond lengths are 3.61 Å. In the second La site, La is bonded to six Th and six equivalent La atoms to form LaLa6Th6 cuboctahedra that share corners with five equivalent ThLa6Th10 cuboctahedra, corners with twelve LaLa6Th6 cuboctahedra, edges with ten ThLa6Th6 cuboctahedra, edges with twelve LaLa6Th6 cuboctahedra, faces with six equivalent LaLa6Th6 cuboctahedra, and faces with fifteen ThLa6Th6 cuboctahedra. All La–Th bond lengths are 3.65 Å. All La–La bond lengths are 3.61 Å. In the third La site, La is bonded to six Th and six equivalent La atoms to form LaLa6Th6 cuboctahedra that share corners with five equivalent ThLa6Th10 cuboctahedra, corners with twelve LaLa6Th6 cuboctahedra, edges with ten ThLa6Th6 cuboctahedra, edges with twelve LaLa6Th6 cuboctahedra, faces with six equivalent LaLa6Th6 cuboctahedra, and faces with fifteen ThLa6Th6 cuboctahedra. All La–La bond lengths are 3.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeTh by Materials Project

ThCe crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Ce atoms to form ThCe6Th6 cuboctahedra that share corners with twelve ThCe6Th6 cuboctahedra, edges with twelve ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent ThCe6Th6 cuboctahedra, and faces with twelve CeCe6Th6 cuboctahedra. All Th–Th bond lengths are 3.45 Å. All Th–Ce bond lengths are 3.46 Å. In the second Th site, Th is bonded to ten equivalent Th and six Ce atoms to form ThCe6Th10 cuboctahedra that share corners with ten CeCe6Th6 cuboctahedra, corners with twelve ThCe6Th6 cuboctahedra, edges with eight CeCe6Th6 cuboctahedra, edges with sixteen ThCe6Th6 cuboctahedra, faces with sixteen equivalent ThCe6Th10 cuboctahedra, and faces with eighteen CeCe6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.45–6.90 Å. All Th–Ce bond lengths are 3.46 Å. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Th and six equivalent Ce atoms to form CeCe6Th6 cuboctahedra that share corners with twelve CeCe6Th6 cuboctahedra, edges with twelve equivalent ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent CeCe6Th6 cuboctahedra, and faces with twelve equivalent ThCe6Th6 cuboctahedra. All Ce–Ce bond lengths are 3.45 Å. In the second Ce site, Ce is bonded to six Th and six equivalent Ce atoms to form CeCe6Th6 cuboctahedra that share corners with five equivalent ThCe6Th10 cuboctahedra, corners with twelve CeCe6Th6 cuboctahedra, edges with ten ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent CeCe6Th6 cuboctahedra, and faces with fifteen ThCe6Th6 cuboctahedra. All Ce–Th bond lengths are 3.46 Å. All Ce–Ce bond lengths are 3.45 Å. In the third Ce site, Ce is bonded to six Th and six equivalent Ce atoms to form CeCe6Th6 cuboctahedra that share corners with five equivalent ThCe6Th10 cuboctahedra, corners with twelve CeCe6Th6 cuboctahedra, edges with ten ThCe6Th6 cuboctahedra, edges with twelve CeCe6Th6 cuboctahedra, faces with six equivalent CeCe6Th6 cuboctahedra, and faces with fifteen ThCe6Th6 cuboctahedra. All Ce–Ce bond lengths are 3.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTh by Materials Project

ThPr crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Pr atoms to form ThPr6Th6 cuboctahedra that share corners with twelve ThPr6Th6 cuboctahedra, edges with twelve ThPr6Th6 cuboctahedra, edges with twelve PrPr6Th6 cuboctahedra, faces with six equivalent ThPr6Th6 cuboctahedra, and faces with twelve PrPr6Th6 cuboctahedra. All Th–Th bond lengths are 3.60 Å. All Th–Pr bond lengths are 3.66 Å. In the second Th site, Th is bonded to ten equivalent Th and six Pr atoms to form ThPr6Th10 cuboctahedra that share corners with ten PrPr6Th6 cuboctahedra, corners with twelve ThPr6Th6 cuboctahedra, edges with eight PrPr6Th6 cuboctahedra, edges with sixteen ThPr6Th6 cuboctahedra, faces with sixteen equivalent ThPr6Th10 cuboctahedra, and faces with eighteen PrPr6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.60–7.21 Å. All Th–Pr bond lengths are 3.66 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded to six equivalent Th and six equivalent Pr atoms to form PrPr6Th6 cuboctahedra that share corners with twelve PrPr6Th6 cuboctahedra, edges with twelve equivalent ThPr6Th6 cuboctahedra, edges with twelve PrPr6Th6 cuboctahedra, faces with six equivalent PrPr6Th6 cuboctahedra, and faces with twelve equivalent ThPr6Th6 cuboctahedra. All Pr–Pr bond lengths are 3.60 Å. In the second Pr site, Pr is bonded to six Th and six equivalent Pr atoms to form PrPr6Th6 cuboctahedra that share corners with five equivalent ThPr6Th10 cuboctahedra, corners with twelve PrPr6Th6 cuboctahedra, edges with ten ThPr6Th6 cuboctahedra, edges with twelve PrPr6Th6 cuboctahedra, faces with six equivalent PrPr6Th6 cuboctahedra, and faces with fifteen ThPr6Th6 cuboctahedra. All Pr–Th bond lengths are 3.66 Å. All Pr–Pr bond lengths are 3.60 Å. In the third Pr site, Pr is bonded to six Th and six equivalent Pr atoms to form PrPr6Th6 cuboctahedra that share corners with five equivalent ThPr6Th10 cuboctahedra, corners with twelve PrPr6Th6 cuboctahedra, edges with ten ThPr6Th6 cuboctahedra, edges with twelve PrPr6Th6 cuboctahedra, faces with six equivalent PrPr6Th6 cuboctahedra, and faces with fifteen ThPr6Th6 cuboctahedra. All Pr–Pr bond lengths are 3.60 Å.

36 MATERIALS SCIENCE↗