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DOE OSTI2020

Materials Data on Er3Pb by Materials Project

Er3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Pb atoms to form distorted ErEr8Pb4 cuboctahedra that share corners with twelve equivalent ErEr8Pb4 cuboctahedra, edges with eight equivalent ErEr8Pb4 cuboctahedra, edges with eight equivalent PbEr12 cuboctahedra, faces with four equivalent PbEr12 cuboctahedra, and faces with ten equivalent ErEr8Pb4 cuboctahedra. There are four shorter (3.29 Å) and four longer (3.52 Å) Er–Er bond lengths. All Er–Pb bond lengths are 3.52 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent Pb atoms. All Er–Pb bond lengths are 3.29 Å. Pb is bonded to twelve Er atoms to form PbEr12 cuboctahedra that share corners with four equivalent PbEr12 cuboctahedra, edges with eight equivalent PbEr12 cuboctahedra, edges with sixteen equivalent ErEr8Pb4 cuboctahedra, faces with four equivalent PbEr12 cuboctahedra, and faces with eight equivalent ErEr8Pb4 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on Zr2Ti3(PbO3)5 by Materials Project

Zr2Ti3(PbO3)5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Zr2Ti3(PbO3)5 sheet oriented in the (2, 0, 1) direction. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) Zr–O bond length. In the second Zr4+ site, Zr4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Zr–O bond lengths are 1.91 Å. There are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Ti–O bond lengths are 1.77 Å. In the second Ti4+ site, Ti4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Ti–O bond lengths are 1.77 Å. In the third Ti4+ site, Ti4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Ti–O bond lengths are 1.77 Å. There are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.14 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.15 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.16 Å) and two longer (2.18 Å) Pb–O bond lengths. In the fourth Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.16 Å) and two longer (2.18 Å) Pb–O bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.14 Å) and two longer (2.18 Å) Pb–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Ti4+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the ninth O2- site, O2- is bonded in a distorted linear geometry to one Ti4+ and one Pb2+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Zn3SbAs2Pb3O14 by Materials Project

Zn3Pb3SbAs2O14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent SbO6 octahedra and corners with two equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.94 Å) and two longer (2.03 Å) Zn–O bond length. Pb+3.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.91 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent ZnO4 tetrahedra. All Sb–O bond lengths are 2.00 Å. As+3.50+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent ZnO4 tetrahedra. There is one shorter (1.71 Å) and three longer (1.74 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one Pb+3.33+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+, one Pb+3.33+, and one As+3.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb+3.33+ and one As+3.50+ atom.

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Materials Data on Hf3Pb by Materials Project

Hf3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to eight Hf and four equivalent Pb atoms to form distorted HfHf8Pb4 cuboctahedra that share corners with twelve equivalent HfHf8Pb4 cuboctahedra, edges with eight equivalent HfHf8Pb4 cuboctahedra, edges with eight equivalent PbHf12 cuboctahedra, faces with four equivalent PbHf12 cuboctahedra, and faces with ten equivalent HfHf8Pb4 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.23 Å) Hf–Hf bond lengths. All Hf–Pb bond lengths are 3.23 Å. In the second Hf site, Hf is bonded in a square co-planar geometry to eight equivalent Hf and four equivalent Pb atoms. All Hf–Pb bond lengths are 3.09 Å. Pb is bonded to twelve Hf atoms to form PbHf12 cuboctahedra that share corners with four equivalent PbHf12 cuboctahedra, edges with eight equivalent PbHf12 cuboctahedra, edges with sixteen equivalent HfHf8Pb4 cuboctahedra, faces with four equivalent PbHf12 cuboctahedra, and faces with eight equivalent HfHf8Pb4 cuboctahedra.

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Materials Data on CePbAu2 by Materials Project

CeAu2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Au and six equivalent Pb atoms. All Ce–Au bond lengths are 3.14 Å. All Ce–Pb bond lengths are 3.63 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Pb atoms. All Au–Pb bond lengths are 3.14 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Ce and eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
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Materials Data on EuHg2Pb by Materials Project

EuHg2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Hg and six equivalent Pb atoms. All Eu–Hg bond lengths are 3.31 Å. All Eu–Pb bond lengths are 3.82 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Pb atoms. All Hg–Pb bond lengths are 3.31 Å. Pb is bonded in a distorted body-centered cubic geometry to six equivalent Eu and eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Al2HPb(CO5)2 by Materials Project

(Al2Pb(CO5)2)2H2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four hydrogen molecules and one Al2Pb(CO5)2 framework. In the Al2Pb(CO5)2 framework, Al is bonded to six O atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.84–1.99 Å. Pb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Pb–O bond distances ranging from 2.41–2.57 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.27 Å) and two longer (1.30 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.27 Å) and two longer (1.32 Å) C–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one C atom. In the second O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the third O site, O is bonded in a single-bond geometry to one C atom. In the fourth O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the fifth O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one Pb and one C atom. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al and one Pb atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one Al, one Pb, and one C atom.

36 MATERIALS SCIENCE↗
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Materials Data on TlSnPb2 by Materials Project

TlPb2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TlPb2Sn ribbons oriented in the (0, 1, 0) direction. Tl is bonded in a linear geometry to two equivalent Pb atoms. Both Tl–Pb bond lengths are 3.32 Å. Pb is bonded in a linear geometry to one Tl and one Sn atom. The Pb–Sn bond length is 2.73 Å. Sn is bonded in a linear geometry to two equivalent Pb atoms.

36 MATERIALS SCIENCE↗
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Materials Data on B3Pb6O10F by Materials Project

B3Pb6O10F crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.44 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.65 Å. 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 2.35–3.14 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.04 Å. In the fourth Pb2+ site, Pb2+ is bonded to four O2- and one F1- atom to form distorted edge-sharing PbO4F square pyramids. There are a spread of Pb–O bond distances ranging from 2.28–2.78 Å. The Pb–F bond length is 2.43 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. F1- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms.

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Materials Data on Lu5CuPb3 by Materials Project

Lu5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 7-coordinate geometry to two equivalent Cu and five equivalent Pb atoms. Both Lu–Cu bond lengths are 2.79 Å. There are a spread of Lu–Pb bond distances ranging from 3.13–3.58 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Lu–Pb bond lengths are 3.23 Å. Cu is bonded to six equivalent Lu atoms to form face-sharing CuLu6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Lu atoms.

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DOE OSTI2020

Materials Data on Cd3Pb by Materials Project

Cd3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight equivalent Cd and four equivalent Pb atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent PbCd12 cuboctahedra, corners with fourteen CdCd8Pb4 cuboctahedra, edges with six equivalent PbCd12 cuboctahedra, edges with twelve equivalent CdCd8Pb4 cuboctahedra, faces with four equivalent PbCd12 cuboctahedra, and faces with sixteen CdCd8Pb4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.22–3.46 Å. All Cd–Pb bond lengths are 3.34 Å. In the second Cd site, Cd is bonded to eight Cd and four equivalent Pb atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent PbCd12 cuboctahedra, corners with fourteen CdCd8Pb4 cuboctahedra, edges with six equivalent PbCd12 cuboctahedra, edges with twelve CdCd8Pb4 cuboctahedra, faces with four equivalent PbCd12 cuboctahedra, and faces with sixteen CdCd8Pb4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.22–3.46 Å. All Cd–Pb bond lengths are 3.34 Å. Pb is bonded to twelve Cd atoms to form PbCd12 cuboctahedra that share corners with six equivalent PbCd12 cuboctahedra, corners with twelve CdCd8Pb4 cuboctahedra, edges with eighteen CdCd8Pb4 cuboctahedra, faces with eight equivalent PbCd12 cuboctahedra, and faces with twelve CdCd8Pb4 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on La6Fe13Pb by Materials Project

La6Fe13Pb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 1-coordinate geometry to twelve Fe and one Pb atom. There are a spread of La–Fe bond distances ranging from 3.07–3.27 Å. The La–Pb bond length is 3.49 Å. In the second La site, La is bonded in a 6-coordinate geometry to four Fe and two equivalent Pb atoms. There are a spread of La–Fe bond distances ranging from 3.01–3.37 Å. Both La–Pb bond lengths are 3.43 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three La and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.73 Å. In the second Fe site, Fe is bonded to five La and seven Fe atoms to form a mixture of distorted face and corner-sharing FeLa5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.53–2.63 Å. In the third Fe site, Fe is bonded to twelve Fe atoms to form FeFe12 cuboctahedra that share corners with eight FeLa2Fe10 cuboctahedra and faces with twelve FeLa5Fe7 cuboctahedra. All Fe–Fe bond lengths are 2.40 Å. In the fourth Fe site, Fe is bonded to two equivalent La and ten Fe atoms to form a mixture of face and corner-sharing FeLa2Fe10 cuboctahedra. There are two shorter (2.52 Å) and one longer (2.54 Å) Fe–Fe bond lengths. Pb is bonded in a distorted q6 geometry to ten La atoms.

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Materials Data on Zr5SnPb3 by Materials Project

Zr5Pb3Sn crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.17 Å. In the second Zr site, Zr is bonded to five equivalent Pb and two equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing ZrSn2Pb5 pentagonal bipyramids. There are a spread of Zr–Pb bond distances ranging from 3.01–3.17 Å. Both Zr–Sn bond lengths are 2.92 Å. Pb is bonded in a 9-coordinate geometry to nine Zr atoms. Sn is bonded to six equivalent Zr atoms to form distorted face-sharing SnZr6 octahedra.

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Materials Data on Zr5CdPb3 by Materials Project

Zr5CdPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.17 Å. In the second Zr site, Zr is bonded to two equivalent Cd and five equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing ZrCd2Pb5 pentagonal bipyramids. Both Zr–Cd bond lengths are 2.91 Å. There are three shorter (3.04 Å) and two longer (3.15 Å) Zr–Pb bond lengths. Cd is bonded to six equivalent Zr atoms to form distorted face-sharing CdZr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
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Materials Data on NaYPb2 by Materials Project

NaYPb2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaYPb2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Pb atoms. Both Na–Pb bond lengths are 3.08 Å. Y is bonded in a linear geometry to two equivalent Pb atoms. Both Y–Pb bond lengths are 3.02 Å. Pb is bonded in a linear geometry to one Na and one Y atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr3Ti2(PbO3)5 by Materials Project

Zr3Ti2(PbO3)5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–14°. There are a spread of Zr–O bond distances ranging from 2.04–2.25 Å. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–15°. There are a spread of Zr–O bond distances ranging from 2.04–2.25 Å. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–15°. There are a spread of Zr–O bond distances ranging from 2.04–2.25 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.80–2.48 Å. In the second Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.79–2.48 Å. There are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–3.11 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.47–3.12 Å. In the third Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.51–3.21 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to three O2- atoms. There are two shorter (2.42 Å) and one longer (2.47 Å) Pb–O bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.12 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ti4+ and three Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ti4+ and two Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and three Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Zr4+ and three Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Zr4+, one Ti4+, and three Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Ti4+ and two Pb2+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Zr4+, one Ti4+, and two equivalent Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Zr4+ and three Pb2+ atoms.

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Materials Data on CaZnPb by Materials Project

CaZnPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 9-coordinate geometry to three equivalent Zn and six equivalent Pb atoms. All Ca–Zn bond lengths are 3.13 Å. There are three shorter (3.24 Å) and three longer (3.53 Å) Ca–Pb bond lengths. Zn is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Pb atoms. There are three shorter (2.87 Å) and one longer (3.12 Å) Zn–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Mg16Al12Pb by Materials Project

Mg16Al12Pb crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.19 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.16 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, six equivalent Al, and one Pb atom. All Mg–Al bond lengths are 3.17 Å. The Mg–Pb bond length is 3.21 Å. Al is bonded in a 11-coordinate geometry to seven Mg, three equivalent Al, and one Pb atom. There are one shorter (2.76 Å) and two longer (2.82 Å) Al–Al bond lengths. The Al–Pb bond length is 3.28 Å. Pb is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms.

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