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DOE OSTI2020

Materials Data on Tl4CrI6 by Materials Project

CrTl4I6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Cr2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.74 Å) and four longer (3.02 Å) Cr–I bond lengths. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.47–4.14 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 7-coordinate geometry to one Cr2+ and six equivalent Tl1+ atoms. In the second I1- site, I1- is bonded to one Cr2+ and four equivalent Tl1+ atoms to form distorted corner-sharing ITl4Cr square pyramids.

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Materials Data on Tl4CdI6 by Materials Project

Tl4CdI6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.89 Å) and four longer (3.16 Å) Cd–I bond lengths. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.51–4.09 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 7-coordinate geometry to one Cd2+ and six equivalent Tl1+ atoms. In the second I1- site, I1- is bonded to one Cd2+ and four equivalent Tl1+ atoms to form distorted corner-sharing ITl4Cd square pyramids.

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Materials Data on NaLi2N by Materials Project

NaLi2N crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.38 Å. Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Li–N bond lengths are 2.11 Å. N3- is bonded to two equivalent Na1+ and six equivalent Li1+ atoms to form a mixture of edge and corner-sharing NNa2Li6 hexagonal bipyramids.

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Materials Data on Te4WCl6 by Materials Project

WTe4Cl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. W6+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of W–Cl bond distances ranging from 2.30–2.38 Å. There are four inequivalent Te sites. In the first Te site, Te is bonded in a 5-coordinate geometry to three Te and two equivalent Cl1- atoms. There are a spread of Te–Te bond distances ranging from 2.74–3.11 Å. There are one shorter (3.55 Å) and one longer (3.80 Å) Te–Cl bond lengths. In the second Te site, Te is bonded in a 3-coordinate geometry to two Te and one Cl1- atom. The Te–Te bond length is 2.73 Å. The Te–Cl bond length is 3.42 Å. In the third Te site, Te is bonded in a 4-coordinate geometry to two Te and two Cl1- atoms. The Te–Te bond length is 2.84 Å. There are one shorter (3.46 Å) and one longer (3.57 Å) Te–Cl bond lengths. In the fourth Te site, Te is bonded in a 1-coordinate geometry to two Te and two Cl1- atoms. There are one shorter (3.24 Å) and one longer (3.65 Å) Te–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ and one Te atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one W6+ and two equivalent Te atoms. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one W6+ and one Te atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one W6+ and two Te atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one W6+ and one Te atom.

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Materials Data on VBi(PbO3)2 by Materials Project

Pb2BiVO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.78 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.36 Å) and two longer (2.50 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.91 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded to two Pb2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi2Pb2 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+, two Pb2+, and one Bi3+ atom.

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Materials Data on BePbF4 by Materials Project

BePbF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) Be–F bond length. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.35–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Be2+ and three equivalent Pb2+ atoms.

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Materials Data on TaHg2F6 by Materials Project

TaHg2F6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ta3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ta–F bond distances ranging from 1.92–1.94 Å. There are two inequivalent Hg+1.50+ sites. In the first Hg+1.50+ site, Hg+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.92 Å) and two longer (2.99 Å) Hg–F bond lengths. In the second Hg+1.50+ site, Hg+1.50+ is bonded in a 6-coordinate geometry to four F1- atoms. There are two shorter (2.88 Å) and two longer (2.97 Å) Hg–F bond lengths. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ta3+ and two Hg+1.50+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ta3+ and two equivalent Hg+1.50+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta3+ and two equivalent Hg+1.50+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta3+ and two equivalent Hg+1.50+ atoms. The F–Ta bond length is 1.92 Å.

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Materials Data on NbHg2F6 by Materials Project

NbHg2F6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb2+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.93 Å) and four longer (1.94 Å) Nb–F bond length. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.87 Å) and two longer (2.94 Å) Hg–F bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.84 Å) and two longer (2.92 Å) Hg–F bond lengths. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Nb2+ and two Hg2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Nb2+ and two equivalent Hg2+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Nb2+ and two equivalent Hg2+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Nb2+ and two equivalent Hg2+ atoms. The F–Nb bond length is 1.94 Å. Both F–Hg bond lengths are 2.87 Å.

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Materials Data on BeH8SeO8 by Materials Project

BeH8SeO8 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.61 Å) and three longer (1.63 Å) Be–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.63 Å) H–O bond length. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.67 Å) and two longer (1.68 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Be2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Be2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Be2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two H1+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two H1+ and one Se6+ atom.

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Materials Data on Cr2Hg2H2O9 by Materials Project

Cr2Hg2H2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.62–1.74 Å. Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.80 Å. 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 2-coordinate geometry to one Cr6+ and two equivalent Hg2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ and one Hg2+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Hg2+ and two equivalent H1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cr6+ and two equivalent Hg2+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ and one Hg2+ atom.

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Materials Data on LiCuC2O5 by Materials Project

LiCuC2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.89–1.98 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 2.18–2.58 Å. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.18 Å) Cu–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.24–1.44 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.25–1.43 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one C4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Cu1+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu1+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+ and two C4+ atoms.

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Materials Data on V(Bi5O8)5 by Materials Project

Bi25VO40 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.75 Å) and two longer (1.76 Å) V–O bond length. There are thirteen inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.79 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.81 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.83 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.78 Å. In the fifth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with four BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.12–2.61 Å. In the sixth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.10–2.56 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.75 Å. In the eighth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.79 Å. In the ninth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids, a cornercorner with one BiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.53 Å. In the tenth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids, a cornercorner with one BiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.54 Å. In the eleventh Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.10–2.56 Å. In the twelfth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.11–2.60 Å. In the thirteenth Bi3+ site, Bi3+ is bonded to four O2- atoms to form corner-sharing BiO4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.29 Å) Bi–O bond lengths. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Bi3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Bi3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fourteenth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the eighteenth O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the twentieth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms.

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Materials Data on Bi12BO20 by Materials Project

BBi12O20 crystallizes in the cubic I23 space group. The structure is three-dimensional. B3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All B–O bond lengths are 1.51 Å. Bi+3.08+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three equivalent Bi+3.08+ atoms.

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Materials Data on CuAgS by Materials Project

AgCuS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.46 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are two shorter (2.27 Å) and one longer (2.30 Å) Cu–S bond lengths. S2- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Cu1+ atoms.

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Materials Data on Ag2WS4 by Materials Project

Ag2WS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W6+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of W–S bond distances ranging from 2.20–2.24 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–2.91 Å. In the second Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–3.05 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one W6+ and three Ag1+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one W6+ and two Ag1+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Ag1+ atoms.

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Materials Data on BaTiO3 by Materials Project

BaTiO3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ba–O bond lengths are 2.52 Å. Ti4+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (1.97 Å) and two longer (2.15 Å) Ti–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent O2- atoms to form distorted corner-sharing OBa2O4 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are two shorter (2.05 Å) and two longer (2.07 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ti4+ and two equivalent O2- atoms.

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Materials Data on AgPbO2 by Materials Project

AgPbO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.09 Å) and one longer (2.10 Å) Ag–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.19 Å) and four longer (2.31 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.52 Å) and two longer (2.57 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ag2+ and three Pb2+ atoms to form a mixture of distorted corner and edge-sharing OAgPb3 tetrahedra. In the second O2- site, O2- is bonded to one Ag2+ and three Pb2+ atoms to form a mixture of distorted corner and edge-sharing OAgPb3 tetrahedra.

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Materials Data on PbAuO2 by Materials Project

AuPbO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Au2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.03 Å) and one longer (2.04 Å) Au–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.23 Å) and four longer (2.34 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.52 Å) and two longer (2.57 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra. In the second O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra.

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