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Materials Data on ThU(CuSi)4 by Materials Project

UTh(CuSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U6+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent CuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent CuSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.09 Å. Th4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.11 Å. Cu+1.50+ is bonded to four Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent USi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with two equivalent USi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. There are two shorter (2.40 Å) and two longer (2.41 Å) Cu–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Cu+1.50+, and one Si4- atom. The Si–Si bond length is 2.42 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, four equivalent Cu+1.50+, and one Si4- atom. The Si–Si bond length is 2.33 Å.

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Materials Data on RbTh2F9 by Materials Project

RbTh2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.78–3.30 Å. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.37–2.45 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and two equivalent Th4+ atoms.

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Materials Data on ThTe2WO9 by Materials Project

ThWTe2O9 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Th–O bond distances ranging from 2.26–2.66 Å. W6+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of W–O bond distances ranging from 1.82–2.15 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–1.96 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.61 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Th4+, one W6+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Th4+, one W6+, and one Te4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Th4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two equivalent W6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Th4+ and two equivalent Te4+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to one Th4+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom.

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Materials Data on ThCrS3 by Materials Project

ThCrS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Th–S bond distances ranging from 2.80–3.08 Å. Cr2+ is bonded to six S2- atoms to form corner-sharing CrS6 octahedra. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of Cr–S bond distances ranging from 2.40–2.71 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Th4+ and two equivalent Cr2+ atoms to form distorted corner-sharing STh2Cr2 trigonal pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Th4+ and two equivalent Cr2+ atoms.

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Materials Data on BaTh(PO4)2 by Materials Project

BaTh(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, corners with two equivalent ThO8 hexagonal bipyramids, corners with four equivalent PO4 tetrahedra, edges with two equivalent BaO12 cuboctahedra, edges with two equivalent ThO8 hexagonal bipyramids, edges with four equivalent PO4 tetrahedra, and faces with two equivalent ThO8 hexagonal bipyramids. There are a spread of Ba–O bond distances ranging from 2.88–3.28 Å. Th4+ is bonded to eight O2- atoms to form distorted ThO8 hexagonal bipyramids that share corners with two equivalent BaO12 cuboctahedra, corners with four equivalent PO4 tetrahedra, edges with two equivalent BaO12 cuboctahedra, edges with two equivalent PO4 tetrahedra, and faces with two equivalent BaO12 cuboctahedra. There are a spread of Th–O bond distances ranging from 2.38–2.51 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent BaO12 cuboctahedra, corners with two equivalent ThO8 hexagonal bipyramids, edges with two equivalent BaO12 cuboctahedra, and an edgeedge with one ThO8 hexagonal bipyramid. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Th4+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Th4+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Th4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Th4+, and one P5+ atom.

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Materials Data on NaThTi2O6 by Materials Project

NaThTi2O6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded to twelve O2- atoms to form NaO12 cuboctahedra that share corners with four equivalent NaO12 cuboctahedra, corners with eight equivalent ThO12 cuboctahedra, faces with two equivalent ThO12 cuboctahedra, faces with four equivalent NaO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are four shorter (2.77 Å) and eight longer (2.95 Å) Na–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 NaO12 cuboctahedra, faces with two equivalent NaO12 cuboctahedra, faces with four equivalent ThO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are eight shorter (2.60 Å) and four longer (2.77 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 NaO12 cuboctahedra, and faces with four equivalent ThO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Ti–O bond distances ranging from 1.90–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, two equivalent Th4+, and two equivalent Ti+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Ti+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent Ti+3.50+ atoms.

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Materials Data on Th2Sb3 by Materials Project

(ThSb)2Sb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule and two ThSb clusters. In each ThSb cluster, Th4+ is bonded in a single-bond geometry to one Sb+2.67- atom. The Th–Sb bond length is 2.71 Å. Sb+2.67- is bonded in a single-bond geometry to one Th4+ atom.

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Materials Data on ThCrSb3 by Materials Project

ThCrSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine Sb+2.33- atoms. There are a spread of Th–Sb bond distances ranging from 3.24–3.34 Å. Cr3+ is bonded to six Sb+2.33- atoms to form a mixture of corner, edge, and face-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.71 Å) and two longer (2.82 Å) Cr–Sb bond lengths. There are three inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Sb+2.33- atoms. There are two shorter (3.10 Å) and two longer (3.16 Å) Sb–Sb bond lengths. In the second Sb+2.33- site, Sb+2.33- is bonded in a 5-coordinate geometry to one Th4+ and four equivalent Cr3+ atoms. In the third Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two equivalent Cr3+ atoms.

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Materials Data on ThSe3 by Materials Project

ThSe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one ThSe3 sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Th–Se bond distances ranging from 2.98–3.06 Å. There are three inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded to four equivalent Th4+ atoms to form a mixture of distorted corner and edge-sharing SeTh4 trigonal pyramids. In the second Se+1.33- site, Se+1.33- is bonded in a 2-coordinate geometry to two equivalent Th4+ and one Se+1.33- atom. The Se–Se bond length is 2.39 Å. In the third Se+1.33- site, Se+1.33- is bonded in a 2-coordinate geometry to two equivalent Th4+ and one Se+1.33- atom.

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Materials Data on Th2FeS5 by Materials Project

FeTh2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Th–S bond distances ranging from 2.78–3.12 Å. Fe2+ is bonded to six S2- atoms to form corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are four shorter (2.50 Å) and two longer (2.60 Å) Fe–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Th4+ atoms to form distorted edge-sharing STh4 trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Th4+ and one Fe2+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Th4+ and two equivalent Fe2+ atoms.

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Materials Data on CaTh(PO4)2 by Materials Project

CaTh(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.93 Å. Th4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.41–2.94 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 1.54–1.57 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Th4+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ca2+, one Th4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Th4+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Th4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Th4+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Ca2+, two equivalent Th4+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Th4+, and one P5+ atom.

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Materials Data on Rb2Th(AsO4)2 by Materials Project

Rb2Th(AsO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first 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 2.81–3.18 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 2.82–3.42 Å. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.38–2.55 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. In the second As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.72 Å) and three longer (1.73 Å) As–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+, one Th4+, and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Th4+, and one As5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Th4+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Th4+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+, one Th4+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Th4+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one Th4+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+, one Th4+, and one As5+ atom.

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Materials Data on ThNb4O12 by Materials Project

ThNb4O12 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Th4+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Th–O bond distances ranging from 2.29–2.81 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 5–28°. There are a spread of Nb–O bond distances ranging from 1.93–2.11 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 5–28°. There are a spread of Nb–O bond distances ranging from 1.95–2.07 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Th4+ and two Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to one Th4+ and two Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Th4+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Th4+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms.

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Materials Data on ThV2PbO8 by Materials Project

ThV2PbO8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.38–2.65 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.72–1.79 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.77 Å. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.49–3.08 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Th4+, one V5+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+, one V5+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+, one V5+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two equivalent Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two equivalent Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+, one V5+, and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+, one V5+, and one Pb2+ atom.

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Materials Data on Th2Sc(B2C)3 by Materials Project

ScTh2(B2C)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one scandium molecule and one Th2(B2C)3 framework. In the Th2(B2C)3 framework, Th4+ is bonded to six equivalent C+3.67- atoms to form a mixture of distorted corner, edge, and face-sharing ThC6 pentagonal pyramids. All Th–C bond lengths are 2.62 Å. B is bonded in a distorted single-bond geometry to one C+3.67- atom. The B–C bond length is 1.51 Å. C+3.67- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B atoms.

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Materials Data on NdThUS5 by Materials Project

UThNdS5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. U3+ is bonded to seven S2- atoms to form distorted edge-sharing US7 pentagonal bipyramids. There are a spread of U–S bond distances ranging from 2.67–2.91 Å. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Th–S bond distances ranging from 2.85–3.00 Å. Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.88–3.10 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent U3+ and two equivalent Nd3+ atoms to form distorted SNd2U2 trigonal pyramids that share corners with six SNd2Th2U square pyramids, corners with two equivalent STh2U2 tetrahedra, corners with two equivalent SNd2Th2U trigonal bipyramids, corners with four equivalent SNd2U2 trigonal pyramids, edges with three SNd2Th2U square pyramids, an edgeedge with one STh2U2 tetrahedra, and edges with two equivalent SNd2Th2U trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent U3+ and two equivalent Th4+ atoms to form distorted STh2U2 tetrahedra that share corners with six SNd2Th2U square pyramids, corners with four equivalent STh2U2 tetrahedra, corners with two equivalent SNd2Th2U trigonal bipyramids, corners with two equivalent SNd2U2 trigonal pyramids, edges with three SNd2Th2U square pyramids, edges with two equivalent SNd2Th2U trigonal bipyramids, and an edgeedge with one SNd2U2 trigonal pyramid. In the third S2- site, S2- is bonded to one U3+, two equivalent Th4+, and two equivalent Nd3+ atoms to form distorted SNd2Th2U square pyramids that share corners with eight SNd2Th2U square pyramids, corners with two equivalent STh2U2 tetrahedra, a cornercorner with one SNd2Th2U trigonal bipyramid, corners with two equivalent SNd2U2 trigonal pyramids, an edgeedge with one SNd2Th2U square pyramid, edges with two equivalent STh2U2 tetrahedra, edges with four equivalent SNd2Th2U trigonal bipyramids, edges with two equivalent SNd2U2 trigonal pyramids, and a faceface with one SNd2Th2U square pyramid. In the fourth S2- site, S2- is bonded to one U3+, two equivalent Th4+, and two equivalent Nd3+ atoms to form distorted SNd2Th2U trigonal bipyramids that share corners with six SNd2Th2U square pyramids, corners with two equivalent STh2U2 tetrahedra, corners with four equivalent SNd2Th2U trigonal bipyramids, corners with two equivalent SNd2U2 trigonal pyramids, edges with six SNd2Th2U square pyramids, edges with two equivalent STh2U2 tetrahedra, and edges with two equivalent SNd2U2 trigonal pyramids. In the fifth S2- site, S2- is bonded to one U3+, two equivalent Th4+, and two equivalent Nd3+ atoms to form SNd2Th2U square pyramids that share corners with four equivalent SNd2Th2U square pyramids, corners with four equivalent STh2U2 tetrahedra, corners with five equivalent SNd2Th2U trigonal bipyramids, corners with four equivalent SNd2U2 trigonal pyramids, edges with three SNd2Th2U square pyramids, an edgeedge with one STh2U2 tetrahedra, edges with two equivalent SNd2Th2U trigonal bipyramids, an edgeedge with one SNd2U2 trigonal pyramid, and a faceface with one SNd2Th2U square pyramid.

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Materials Data on KNaCaTh(Si2O5)4 by Materials Project

KNaCaTh(Si8O20) crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with four equivalent NaO8 hexagonal bipyramids and edges with eight SiO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.96–3.22 Å. Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share corners with four equivalent KO12 cuboctahedra, corners with four equivalent SiO4 tetrahedra, and edges with four equivalent SiO4 tetrahedra. There are four shorter (2.51 Å) and four longer (2.66 Å) Na–O bond lengths. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.62 Å) Ca–O bond lengths. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.45 Å) Th–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra, an edgeedge with one KO12 cuboctahedra, and an edgeedge with one NaO8 hexagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one NaO8 hexagonal bipyramid, corners with three equivalent SiO4 tetrahedra, and an edgeedge with one KO12 cuboctahedra. There are a spread of Si–O bond distances ranging from 1.60–1.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two Si4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, one Th4+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ca2+, one Th4+, and one Si4+ atom.

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Materials Data on ThPdO3 by Materials Project

ThPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent O2- atoms to form ThO12 cuboctahedra that share corners with twelve equivalent ThO12 cuboctahedra, faces with six equivalent ThO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Th–O bond lengths are 2.86 Å. Pd2+ is bonded to six equivalent O2- atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent Pd2+ atoms.

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