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Materials Data on ThCo5 by Materials Project

ThCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.85 Å) and twelve longer (3.19 Å) Th–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoTh3Co9 cuboctahedra. There are six shorter (2.46 Å) and three longer (2.85 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Th and eight Co atoms to form CoTh4Co8 cuboctahedra that share corners with twenty-four CoTh3Co9 cuboctahedra, edges with ten equivalent CoTh4Co8 cuboctahedra, and faces with twenty-two CoTh3Co9 cuboctahedra. All Co–Co bond lengths are 2.47 Å.

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Materials Data on ThH3 by Materials Project

ThH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve H atoms to form a mixture of edge, corner, and face-sharing ThH12 cuboctahedra. There are eight shorter (2.41 Å) and four longer (2.49 Å) Th–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Th atoms to form a mixture of distorted edge and corner-sharing HTh4 tetrahedra. In the second H site, H is bonded in a square co-planar geometry to four equivalent Th atoms.

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Materials Data on Tm3Th by Materials Project

ThTm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Tm atoms to form ThTm12 cuboctahedra that share corners with four equivalent ThTm12 cuboctahedra, corners with eight equivalent TmTm8Th4 cuboctahedra, edges with eight equivalent ThTm12 cuboctahedra, edges with sixteen equivalent TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with fourteen TmTm8Th4 cuboctahedra. There are eight shorter (3.52 Å) and four longer (3.54 Å) Th–Tm bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Th and eight Tm atoms to form TmTm8Th4 cuboctahedra that share corners with twelve equivalent TmTm8Th4 cuboctahedra, edges with eight equivalent ThTm12 cuboctahedra, edges with sixteen TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with fourteen TmTm8Th4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.54 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to four equivalent Th and eight equivalent Tm atoms to form TmTm8Th4 cuboctahedra that share corners with four equivalent TmTm8Th4 cuboctahedra, corners with eight equivalent ThTm12 cuboctahedra, edges with twenty-four TmTm8Th4 cuboctahedra, faces with six equivalent ThTm12 cuboctahedra, and faces with twelve TmTm8Th4 cuboctahedra.

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Materials Data on Lu3Th by Materials Project

ThLu3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Lu atoms to form ThLu12 cuboctahedra that share corners with four equivalent ThLu12 cuboctahedra, corners with eight equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen equivalent LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are eight shorter (3.49 Å) and four longer (3.53 Å) Th–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Th and eight Lu atoms to form LuLu8Th4 cuboctahedra that share corners with twelve equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.53 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to four equivalent Th and eight equivalent Lu atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent LuLu8Th4 cuboctahedra, corners with eight equivalent ThLu12 cuboctahedra, edges with twenty-four LuLu8Th4 cuboctahedra, faces with six equivalent ThLu12 cuboctahedra, and faces with twelve LuLu8Th4 cuboctahedra.

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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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