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Materials Data on ThTeSO7 by Materials Project

ThTeSO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one ThTeSO7 sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.20–2.69 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–1.93 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Th4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one S6+ atom.

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Materials Data on Th2As3 by Materials Project

(ThAs)2As crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic molecule and two ThAs clusters. In each ThAs cluster, Th4+ is bonded in a single-bond geometry to one As+2.67- atom. The Th–As bond length is 2.48 Å. As+2.67- is bonded in a single-bond geometry to one Th4+ atom.

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Materials Data on Na2Th(AsO4)2 by Materials Project

Na2Th(AsO4)2 is Esseneite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with four equivalent AsO4 tetrahedra, edges with two equivalent NaO6 pentagonal pyramids, and an edgeedge with one AsO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.41–2.74 Å. Th4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.58 Å) Th–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent NaO6 pentagonal pyramids and an edgeedge with one NaO6 pentagonal pyramid. There is two shorter (1.71 Å) and two longer (1.73 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Th4+, and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Th4+, and one As5+ atom.

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Materials Data on Th2P3NO12 by Materials Project

(Th2(PO4)3)2N2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four ammonia molecules and one Th2(PO4)3 framework. In the Th2(PO4)3 framework, Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.36–2.68 Å. There are two 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 1.53–1.57 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Th4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one P5+ atom.

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Materials Data on Rb8Th(MoO4)6 by Materials Project

Rb8Th(MoO4)6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.40 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.39 Å. In the third Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.52 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.36 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–3.44 Å. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.34–2.64 Å. There are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.86 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. In the third Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.83 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Th4+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+, one Th4+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Th4+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Th4+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom.

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Materials Data on ThPbI6 by Materials Project

ThPbI6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two ThPbI6 sheets oriented in the (0, 1, 0) direction. Th4+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Th–I bond distances ranging from 3.17–3.27 Å. Pb2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Pb–I bond distances ranging from 3.16–3.51 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Th4+ and two equivalent Pb2+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Th4+ and one Pb2+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Th4+ atoms.

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Materials Data on ThPt2 by Materials Project

ThPt2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Th–Pt bond distances ranging from 2.98–3.09 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Th4+ and eight Pt2- atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent PtTh4Pt8 cuboctahedra, corners with four equivalent PtTh5Pt4 square pyramids, edges with eight equivalent PtTh5Pt4 square pyramids, faces with eight equivalent PtTh4Pt8 cuboctahedra, and faces with four equivalent PtTh5Pt4 square pyramids. There are four shorter (2.89 Å) and four longer (2.97 Å) Pt–Pt bond lengths. In the second Pt2- site, Pt2- is bonded to five equivalent Th4+ and four equivalent Pt2- atoms to form distorted PtTh5Pt4 square pyramids that share corners with four equivalent PtTh4Pt8 cuboctahedra, corners with eight equivalent PtTh5Pt4 square pyramids, edges with eight equivalent PtTh4Pt8 cuboctahedra, edges with four equivalent PtTh5Pt4 square pyramids, faces with four equivalent PtTh4Pt8 cuboctahedra, and faces with five equivalent PtTh5Pt4 square pyramids.

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Materials Data on ThSi3Os by Materials Project

ThOsSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th4+ is bonded to twelve Si4- atoms to form a mixture of distorted corner, edge, and face-sharing ThSi12 cuboctahedra. There are a spread of Th–Si bond distances ranging from 3.11–3.42 Å. Os8+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.37 Å) and four longer (2.39 Å) Os–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted single-bond geometry to four equivalent Th4+, one Os8+, and four equivalent Si4- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si4- site, Si4- is bonded in a distorted bent 120 degrees geometry to four equivalent Th4+, two equivalent Os8+, and two equivalent Si4- atoms.

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Materials Data on Th2CoSi3 by Materials Project

Th2CoSi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th4+ is bonded in a distorted q4 geometry to nine Si4- atoms. There are three shorter (3.06 Å) and six longer (3.18 Å) Th–Si bond lengths. Co4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.37 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+ and three equivalent Si4- atoms. All Si–Si bond lengths are 2.37 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+ and three equivalent Co4+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+ and three equivalent Si4- atoms.

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Materials Data on NaTh2(PO4)3 by Materials Project

NaTh2(PO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.68–2.91 Å. Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.33–2.68 Å. There are two 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 1.53–1.58 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Th4+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Th4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Th4+, and one P5+ atom.

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Materials Data on ThH6(NO5)2 by Materials Project

ThH6(NO5)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two ThH6(NO5)2 ribbons oriented in the (0, 0, 1) direction. Th4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.35–2.90 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Th4+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Th4+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one H1+ atom.

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Materials Data on ThUSb4 by Materials Project

UThSb4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of U–Sb bond distances ranging from 3.11–3.26 Å. Th4+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of Th–Sb bond distances ranging from 3.20–3.36 Å. There are three inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to two equivalent U6+, two equivalent Th4+, and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.09 Å. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent U6+ and one Th4+ atom to form distorted SbThU4 square pyramids that share corners with four equivalent SbThU4 square pyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids. In the third Sb+2.50- site, Sb+2.50- is bonded to one U6+ and four equivalent Th4+ atoms to form distorted SbTh4U trigonal bipyramids that share corners with four equivalent SbTh4U trigonal bipyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids.

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Materials Data on ThUH8(C2O5)4 by Materials Project

UThH8(C2O5)4 crystallizes in the orthorhombic C222 space group. The structure is two-dimensional and consists of two UThH8(C2O5)4 sheets oriented in the (0, 1, 0) direction. U4+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.47–2.56 Å. Th4+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.52–2.57 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one C3+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one U4+ and two equivalent H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to one Th4+ and two equivalent H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one C3+ atom.

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Materials Data on Na8ThU(MoO4)8 by Materials Project

Na8UTh(MoO4)8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with six MoO4 tetrahedra and edges with two equivalent NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.60 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with six MoO4 tetrahedra and edges with two equivalent NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.57 Å. U4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.38 Å) U–O bond lengths. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.43 Å) Th–O bond lengths. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with six NaO6 pentagonal pyramids. There are a spread of Mo–O bond distances ranging from 1.77–1.85 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with six NaO6 pentagonal pyramids. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one U4+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Th4+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Th4+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one U4+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one Mo6+ atom.

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Materials Data on Ce2ThO6 by Materials Project

ThCe2O6 is Fluorite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.40 Å) and two longer (2.44 Å) Th–O bond lengths. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Th4+ and three equivalent Ce4+ atoms to form OCe3Th tetrahedra that share corners with sixteen OCe3Th tetrahedra and edges with six OCeTh3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Th4+ and one Ce4+ atom to form a mixture of corner and edge-sharing OCeTh3 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.

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Materials Data on KThTi2O6 by Materials Project

KThTi2O6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with four equivalent KO12 cuboctahedra, corners with eight equivalent ThO12 cuboctahedra, faces with two equivalent ThO12 cuboctahedra, faces with four equivalent KO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are four shorter (2.80 Å) and eight longer (2.99 Å) K–O bond lengths. Th4+ is bonded to twelve O2- atoms to form ThO12 cuboctahedra that share corners with four equivalent ThO12 cuboctahedra, corners with eight equivalent KO12 cuboctahedra, faces with two equivalent KO12 cuboctahedra, faces with four equivalent ThO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are eight shorter (2.60 Å) and four longer (2.80 Å) Th–O bond lengths. Ti+3.50+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra, faces with four equivalent KO12 cuboctahedra, and faces with four equivalent ThO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are a spread of Ti–O bond distances ranging from 1.93–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to four equivalent Th4+ and two equivalent Ti+3.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, two equivalent Th4+, and two equivalent Ti+3.50+ atoms. In the third O2- site, O2- is bonded to four equivalent K1+ and two equivalent Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing OK4Ti2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on ThB2Pt2C by Materials Project

ThPt2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Th–C bond lengths are 2.72 Å. Pt is bonded to four equivalent B atoms to form a mixture of edge and corner-sharing PtB4 tetrahedra. All Pt–B bond lengths are 2.29 Å. B is bonded in a distorted single-bond geometry to four equivalent Pt and one C4- atom. The B–C bond length is 1.49 Å. C4- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B atoms.

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Materials Data on Ce2ThS5 by Materials Project

ThCe2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded to seven S2- atoms to form distorted edge-sharing ThS7 pentagonal bipyramids. There are a spread of Th–S bond distances ranging from 2.74–2.90 Å. Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.10 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Th4+ and two equivalent Ce3+ atoms to form distorted SCe2Th2 trigonal pyramids that share corners with six SCe4Th square pyramids, corners with two equivalent SCe4Th trigonal bipyramids, corners with six equivalent SCe2Th2 trigonal pyramids, edges with three SCe4Th square pyramids, edges with two equivalent SCe4Th trigonal bipyramids, and an edgeedge with one SCe2Th2 trigonal pyramid. In the second S2- site, S2- is bonded to one Th4+ and four equivalent Ce3+ atoms to form distorted SCe4Th trigonal bipyramids that share corners with six SCe4Th square pyramids, corners with four equivalent SCe4Th trigonal bipyramids, corners with four equivalent SCe2Th2 trigonal pyramids, edges with six SCe4Th square pyramids, and edges with four equivalent SCe2Th2 trigonal pyramids. In the third S2- site, S2- is bonded to one Th4+ and four equivalent Ce3+ atoms to form SCe4Th square pyramids that share corners with four equivalent SCe4Th square pyramids, corners with five equivalent SCe4Th trigonal bipyramids, corners with eight equivalent SCe2Th2 trigonal pyramids, edges with three SCe4Th square pyramids, edges with two equivalent SCe4Th trigonal bipyramids, edges with two equivalent SCe2Th2 trigonal pyramids, and a faceface with one SCe4Th square pyramid. In the fourth S2- site, S2- is bonded to one Th4+ and four equivalent Ce3+ atoms to form distorted SCe4Th square pyramids that share corners with eight SCe4Th square pyramids, a cornercorner with one SCe4Th trigonal bipyramid, corners with four equivalent SCe2Th2 trigonal pyramids, an edgeedge with one SCe4Th square pyramid, edges with four equivalent SCe4Th trigonal bipyramids, edges with four equivalent SCe2Th2 trigonal pyramids, and a faceface with one SCe4Th square pyramid.

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