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Materials Data on Nd3Th by Materials Project

ThNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Nd atoms to form ThNd12 cuboctahedra that share corners with four equivalent ThNd12 cuboctahedra, corners with eight equivalent NdNd8Th4 cuboctahedra, edges with eight equivalent ThNd12 cuboctahedra, edges with sixteen equivalent NdNd8Th4 cuboctahedra, faces with four equivalent ThNd12 cuboctahedra, and faces with fourteen NdNd8Th4 cuboctahedra. There are four shorter (3.64 Å) and eight longer (3.66 Å) Th–Nd bond lengths. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Th and eight Nd atoms to form NdNd8Th4 cuboctahedra that share corners with twelve equivalent NdNd8Th4 cuboctahedra, edges with eight equivalent ThNd12 cuboctahedra, edges with sixteen NdNd8Th4 cuboctahedra, faces with four equivalent ThNd12 cuboctahedra, and faces with fourteen NdNd8Th4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to four equivalent Th and eight equivalent Nd atoms to form NdNd8Th4 cuboctahedra that share corners with four equivalent NdNd8Th4 cuboctahedra, corners with eight equivalent ThNd12 cuboctahedra, edges with twenty-four NdNd8Th4 cuboctahedra, faces with six equivalent ThNd12 cuboctahedra, and faces with twelve NdNd8Th4 cuboctahedra.

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Materials Data on ThAlPt by Materials Project

ThPtAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Pt atoms. There are four shorter (3.03 Å) and one longer (3.07 Å) Th–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Pt–Al bond lengths are 2.70 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Pt–Al bond lengths are 2.87 Å. Al is bonded in a 4-coordinate geometry to four Pt atoms.

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Materials Data on Th4P6PbO24 by Materials Project

Th4PbP6O24 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.33–2.66 Å. In the second Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.31–2.59 Å. In the third Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.34–2.74 Å. In the fourth Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.37–2.69 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.49–3.08 Å. There are six inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. In the third P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the fourth P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the fifth P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the sixth P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+, one Pb2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+, one Pb2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+, one Pb2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Th4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a distorted water-like geometry to one Th4+ and one P5+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+, one Pb2+, and one P5+ atom. In the fifteenth O2- site, O2- is bonded in a distorted water-like geometry to one Th4+ and one P5+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+, one Pb2+, and one P5+ atom. In the seventeenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one P5+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one P5+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+, one Pb2+, and one P5+ atom. In the twentieth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one P5+ atom. In the twenty-first O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+, one Pb2+, and one P5+ atom. In the twenty-second O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+, one Pb2+, and one P5+ atom. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Th4+ and one P5+ atom.

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Materials Data on Pr3Th by Materials Project

ThPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Pr atoms to form ThPr12 cuboctahedra that share corners with four equivalent ThPr12 cuboctahedra, corners with eight equivalent PrPr8Th4 cuboctahedra, edges with eight equivalent ThPr12 cuboctahedra, edges with sixteen equivalent PrPr8Th4 cuboctahedra, faces with four equivalent ThPr12 cuboctahedra, and faces with fourteen PrPr8Th4 cuboctahedra. All Th–Pr bond lengths are 3.68 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Th and eight Pr atoms to form PrPr8Th4 cuboctahedra that share corners with twelve equivalent PrPr8Th4 cuboctahedra, edges with eight equivalent ThPr12 cuboctahedra, edges with sixteen PrPr8Th4 cuboctahedra, faces with four equivalent ThPr12 cuboctahedra, and faces with fourteen PrPr8Th4 cuboctahedra. All Pr–Pr bond lengths are 3.68 Å. In the second Pr site, Pr is bonded to four equivalent Th and eight equivalent Pr atoms to form PrPr8Th4 cuboctahedra that share corners with four equivalent PrPr8Th4 cuboctahedra, corners with eight equivalent ThPr12 cuboctahedra, edges with twenty-four PrPr8Th4 cuboctahedra, faces with six equivalent ThPr12 cuboctahedra, and faces with twelve PrPr8Th4 cuboctahedra.

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Materials Data on Er2ThOF10 by Materials Project

(ThEr2F10)2O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of four water molecules and one ThEr2F10 framework. In the ThEr2F10 framework, Th is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.28 Å) and four longer (2.47 Å) Th–F bond lengths. Er is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Er–F bond distances ranging from 2.17–2.36 Å. There are three inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to one Th and two equivalent Er atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Er atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one Th and one Er atom.

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Materials Data on Eu3Th by Materials Project

ThEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Eu atoms to form ThEu12 cuboctahedra that share corners with four equivalent ThEu12 cuboctahedra, corners with eight equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen equivalent EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and eight longer (3.80 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Th and eight Eu atoms to form EuEu8Th4 cuboctahedra that share corners with twelve equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and four longer (3.80 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Th and eight equivalent Eu atoms to form EuEu8Th4 cuboctahedra that share corners with four equivalent EuEu8Th4 cuboctahedra, corners with eight equivalent ThEu12 cuboctahedra, edges with twenty-four EuEu8Th4 cuboctahedra, faces with six equivalent ThEu12 cuboctahedra, and faces with twelve EuEu8Th4 cuboctahedra.

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Materials Data on ThSc3 by Materials Project

ThSc3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Sc atoms to form ThSc12 cuboctahedra that share corners with four equivalent ThSc12 cuboctahedra, corners with eight equivalent ScTh4Sc8 cuboctahedra, edges with eight equivalent ThSc12 cuboctahedra, edges with sixteen equivalent ScTh4Sc8 cuboctahedra, faces with four equivalent ThSc12 cuboctahedra, and faces with fourteen ScTh4Sc8 cuboctahedra. There are eight shorter (3.33 Å) and four longer (3.42 Å) Th–Sc bond lengths. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Th and eight Sc atoms to form ScTh4Sc8 cuboctahedra that share corners with twelve equivalent ScTh4Sc8 cuboctahedra, edges with eight equivalent ThSc12 cuboctahedra, edges with sixteen ScTh4Sc8 cuboctahedra, faces with four equivalent ThSc12 cuboctahedra, and faces with fourteen ScTh4Sc8 cuboctahedra. There are four shorter (3.33 Å) and four longer (3.42 Å) Sc–Sc bond lengths. In the second Sc site, Sc is bonded to four equivalent Th and eight equivalent Sc atoms to form ScTh4Sc8 cuboctahedra that share corners with four equivalent ScTh4Sc8 cuboctahedra, corners with eight equivalent ThSc12 cuboctahedra, edges with twenty-four ScTh4Sc8 cuboctahedra, faces with six equivalent ThSc12 cuboctahedra, and faces with twelve ScTh4Sc8 cuboctahedra.

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Materials Data on CeThS2 by Materials Project

ThCeS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded to six S atoms to form ThS6 octahedra that share corners with six equivalent ThS6 octahedra, edges with four equivalent ThS6 octahedra, and edges with eight equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–S bond lengths are 2.85 Å. Ce is bonded to six S atoms to form CeS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with four equivalent CeS6 octahedra, and edges with eight equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–S bond lengths are 2.85 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Th and two equivalent Ce atoms to form a mixture of edge and corner-sharing SCe2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S site, S is bonded to two equivalent Th and four equivalent Ce atoms to form SCe4Th2 octahedra that share corners with six equivalent SCe4Th2 octahedra and edges with twelve SCe2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on ThAlPd by Materials Project

ThPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Pd atoms. There are four shorter (3.04 Å) and one longer (3.07 Å) Th–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Pd–Al bond lengths are 2.71 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Pd–Al bond lengths are 2.88 Å. Al is bonded in a 4-coordinate geometry to four Pd atoms.

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Materials Data on Eu3Th by Materials Project

ThEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (3.67 Å) and six longer (4.24 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.67 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Eu atoms.

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Materials Data on ThUN2 by Materials Project

UThN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to six N atoms to form UN6 octahedra that share corners with six equivalent UN6 octahedra, edges with four equivalent UN6 octahedra, and edges with eight equivalent ThN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–N bond lengths are 2.52 Å. Th is bonded to six N atoms to form ThN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with four equivalent ThN6 octahedra, and edges with eight equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–N bond lengths are 2.52 Å. There are two inequivalent N sites. In the first N site, N is bonded to two equivalent U and four equivalent Th atoms to form a mixture of corner and edge-sharing NTh4U2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N site, N is bonded to four equivalent U and two equivalent Th atoms to form NTh2U4 octahedra that share corners with six equivalent NTh2U4 octahedra and edges with twelve NTh4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on ThUS2 by Materials Project

UThS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to six S atoms to form US6 octahedra that share corners with six equivalent US6 octahedra, edges with four equivalent US6 octahedra, and edges with eight equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.80 Å) and two longer (2.81 Å) U–S bond lengths. Th is bonded to six S atoms to form ThS6 octahedra that share corners with six equivalent ThS6 octahedra, edges with four equivalent ThS6 octahedra, and edges with eight equivalent US6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.80 Å) and two longer (2.81 Å) Th–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent U and two equivalent Th atoms to form a mixture of edge and corner-sharing STh2U4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S site, S is bonded to two equivalent U and four equivalent Th atoms to form STh4U2 octahedra that share corners with six equivalent STh4U2 octahedra and edges with twelve STh2U4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Y3Th by Materials Project

ThY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Y atoms to form ThY12 cuboctahedra that share corners with four equivalent ThY12 cuboctahedra, corners with eight equivalent YY8Th4 cuboctahedra, edges with eight equivalent ThY12 cuboctahedra, edges with sixteen equivalent YY8Th4 cuboctahedra, faces with four equivalent ThY12 cuboctahedra, and faces with fourteen YY8Th4 cuboctahedra. There are eight shorter (3.58 Å) and four longer (3.61 Å) Th–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Th and eight Y atoms to form YY8Th4 cuboctahedra that share corners with twelve equivalent YY8Th4 cuboctahedra, edges with eight equivalent ThY12 cuboctahedra, edges with sixteen YY8Th4 cuboctahedra, faces with four equivalent ThY12 cuboctahedra, and faces with fourteen YY8Th4 cuboctahedra. There are four shorter (3.58 Å) and four longer (3.61 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Th and eight equivalent Y atoms to form YY8Th4 cuboctahedra that share corners with four equivalent YY8Th4 cuboctahedra, corners with eight equivalent ThY12 cuboctahedra, edges with twenty-four YY8Th4 cuboctahedra, faces with six equivalent ThY12 cuboctahedra, and faces with twelve YY8Th4 cuboctahedra.

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Materials Data on PrThN2 by Materials Project

ThPrN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded to six N atoms to form ThN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with four equivalent ThN6 octahedra, and edges with eight equivalent PrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.59 Å) and four longer (2.60 Å) Th–N bond lengths. Pr is bonded to six N atoms to form PrN6 octahedra that share corners with six equivalent PrN6 octahedra, edges with four equivalent PrN6 octahedra, and edges with eight equivalent ThN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.59 Å) and four longer (2.60 Å) Pr–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded to four equivalent Th and two equivalent Pr atoms to form a mixture of edge and corner-sharing NPr2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N site, N is bonded to two equivalent Th and four equivalent Pr atoms to form NPr4Th2 octahedra that share corners with six equivalent NPr4Th2 octahedra and edges with twelve NPr2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on LaThPb6 by Materials Project

ThLaPb6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Pb atoms to form ThPb12 cuboctahedra that share corners with four equivalent ThPb12 cuboctahedra, corners with eight equivalent LaPb12 cuboctahedra, faces with two equivalent LaPb12 cuboctahedra, and faces with four equivalent ThPb12 cuboctahedra. There are four shorter (3.48 Å) and eight longer (3.51 Å) Th–Pb bond lengths. La is bonded to twelve Pb atoms to form LaPb12 cuboctahedra that share corners with four equivalent LaPb12 cuboctahedra, corners with eight equivalent ThPb12 cuboctahedra, faces with two equivalent ThPb12 cuboctahedra, and faces with four equivalent LaPb12 cuboctahedra. There are four shorter (3.48 Å) and eight longer (3.54 Å) La–Pb bond lengths. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a square co-planar geometry to four equivalent La atoms. In the second Pb site, Pb is bonded in a distorted square co-planar geometry to four equivalent Th atoms. In the third Pb site, Pb is bonded in a distorted square co-planar geometry to two equivalent Th and two equivalent La atoms.

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Materials Data on Ce3Th by Materials Project

ThCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Ce atoms to form ThCe12 cuboctahedra that share corners with four equivalent ThCe12 cuboctahedra, corners with eight equivalent CeCe8Th4 cuboctahedra, edges with eight equivalent ThCe12 cuboctahedra, edges with sixteen equivalent CeCe8Th4 cuboctahedra, faces with four equivalent ThCe12 cuboctahedra, and faces with fourteen CeCe8Th4 cuboctahedra. There are eight shorter (3.39 Å) and four longer (3.42 Å) Th–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Th and eight Ce atoms to form CeCe8Th4 cuboctahedra that share corners with twelve equivalent CeCe8Th4 cuboctahedra, edges with eight equivalent ThCe12 cuboctahedra, edges with sixteen CeCe8Th4 cuboctahedra, faces with four equivalent ThCe12 cuboctahedra, and faces with fourteen CeCe8Th4 cuboctahedra. There are four shorter (3.39 Å) and four longer (3.42 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Th and eight equivalent Ce atoms to form CeCe8Th4 cuboctahedra that share corners with four equivalent CeCe8Th4 cuboctahedra, corners with eight equivalent ThCe12 cuboctahedra, edges with twenty-four CeCe8Th4 cuboctahedra, faces with six equivalent ThCe12 cuboctahedra, and faces with twelve CeCe8Th4 cuboctahedra.

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Materials Data on Th2Br5 by Materials Project

Th2Br5 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th2Br5 frameworks. Th is bonded to five Br atoms to form corner-sharing ThBr5 square pyramids. There are four shorter (2.93 Å) and one longer (3.05 Å) Th–Br bond lengths. There are two inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two equivalent Th atoms. In the second Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms.

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Materials Data on CeTh2S3 by Materials Project

Th2CeS3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th is bonded to six S atoms to form ThS6 octahedra that share corners with three equivalent ThS6 octahedra, corners with three equivalent CeS6 octahedra, edges with three equivalent CeS6 octahedra, and edges with nine equivalent ThS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are three shorter (2.86 Å) and three longer (2.87 Å) Th–S bond lengths. Ce is bonded to six equivalent S atoms to form CeS6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent ThS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ce–S bond lengths are 2.85 Å. There are two inequivalent S sites. In the first S site, S is bonded to three equivalent Th and three equivalent Ce atoms to form a mixture of edge and corner-sharing SCe3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S site, S is bonded to six equivalent Th atoms to form a mixture of edge and corner-sharing STh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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