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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.

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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.

36 MATERIALS SCIENCE↗
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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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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↗
DOE OSTI2020

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↗
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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↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaYbPb2 by Materials Project

CaYbPb2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Ca–Pb bond lengths are 3.40 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Yb–Pb bond lengths are 3.40 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2MgPb by Materials Project

Na2MgPb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a 11-coordinate geometry to four equivalent Na, three equivalent Mg, and four equivalent Pb atoms. There are three shorter (3.40 Å) and one longer (3.46 Å) Na–Na bond lengths. All Na–Mg bond lengths are 3.44 Å. There are one shorter (3.37 Å) and three longer (3.44 Å) Na–Pb bond lengths. Mg is bonded in a distorted trigonal planar geometry to six equivalent Na and three equivalent Pb atoms. All Mg–Pb bond lengths are 2.97 Å. Pb is bonded in a 11-coordinate geometry to eight equivalent Na and three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
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Materials Data on BaNa2Pb by Materials Project

Na2BaPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Pb atoms. All Na–Ba bond lengths are 3.51 Å. All Na–Pb bond lengths are 3.51 Å. Ba is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Pb atoms. All Ba–Pb bond lengths are 4.05 Å. Pb is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoPd2Pb by Materials Project

HoPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Ho–Pd bond lengths are 2.98 Å. All Ho–Pb bond lengths are 3.44 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Ho and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.98 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Ho and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr5SiPb3 by Materials Project

Zr5Pb3Si 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 3.14 Å. In the second Zr site, Zr is bonded to five equivalent Pb and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing ZrSi2Pb5 pentagonal bipyramids. There are a spread of Zr–Pb bond distances ranging from 3.09–3.30 Å. Both Zr–Si bond lengths are 2.72 Å. Pb is bonded in a 9-coordinate geometry to nine Zr atoms. Si is bonded to six equivalent Zr atoms to form face-sharing SiZr6 octahedra.

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 ZrO6 octahedra that share corners with three ZrO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–17°. There are a spread of Zr–O bond distances ranging from 2.03–2.28 Å. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two TiO6 octahedra and corners with four ZrO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Zr–O bond distances ranging from 2.04–2.27 Å. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with three ZrO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–17°. There are a spread of Zr–O bond distances ranging from 2.04–2.27 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–15°. There are a spread of Ti–O bond distances ranging from 1.89–2.17 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 13–15°. There are a spread of Ti–O bond distances ranging from 1.86–2.30 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 2.46–3.00 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 2.43–3.08 Å. In the third 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 2.48–3.11 Å. In the fourth 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 2.42–3.15 Å. 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 2.43–3.09 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Zr4+, one Ti4+, and three Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Zr4+, one Ti4+, and three Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Zr4+, one Ti4+, and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Zr4+, one Ti4+, and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two 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 1-coordinate geometry to two Ti4+ and three Pb2+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two Zr4+ and three Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Zr4+, one Ti4+, and three Pb2+ atoms.

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DOE OSTI2020

Materials Data on SrYPb2 by Materials Project

SrYPb2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two SrYPb2 ribbons oriented in the (1, 0, 0) direction. Sr is bonded in a linear geometry to two equivalent Pb atoms. Both Sr–Pb bond lengths are 3.20 Å. Y is bonded in a linear geometry to two equivalent Pb atoms. Both Y–Pb bond lengths are 2.92 Å. Pb is bonded in a linear geometry to one Sr and one Y atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm5Pb3 by Materials Project

Sm5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Sm–Pb bond lengths are 3.32 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Sm–Pb bond distances ranging from 3.19–3.69 Å. Pb is bonded in a 9-coordinate geometry to nine Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgSb(Te8Pb7)2 by Materials Project

AgSb(Pb7Te8)2 is alpha Po-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six Te2- atoms to form AgTe6 octahedra that share corners with two equivalent PbTe6 octahedra, corners with four equivalent SbTe6 octahedra, and edges with twelve PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.98 Å) and four longer (3.36 Å) Ag–Te bond lengths. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.22 Å) and four longer (3.27 Å) Pb–Te bond lengths. In the second Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six PbTe6 octahedra, edges with two equivalent AgTe6 octahedra, edges with two equivalent SbTe6 octahedra, and edges with eight equivalent PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (3.23 Å) and four longer (3.27 Å) Pb–Te bond lengths. In the third Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six equivalent PbTe6 octahedra, an edgeedge with one AgTe6 octahedra, an edgeedge with one SbTe6 octahedra, and edges with ten PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are a spread of Pb–Te bond distances ranging from 3.20–3.28 Å. In the fourth Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share a cornercorner with one AgTe6 octahedra, a cornercorner with one SbTe6 octahedra, corners with four equivalent PbTe6 octahedra, and edges with twelve PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.27 Å) and two longer (3.40 Å) Pb–Te bond lengths. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent PbTe6 octahedra, corners with four equivalent AgTe6 octahedra, and edges with twelve PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.11 Å) and four longer (3.17 Å) Sb–Te bond lengths. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Pb2+ atoms to form a mixture of edge and corner-sharing TePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second Te2- site, Te2- is bonded to six Pb2+ atoms to form a mixture of edge and corner-sharing TePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the third Te2- site, Te2- is bonded to one Ag1+, four Pb2+, and one Sb3+ atom to form TeAgSbPb4 octahedra that share corners with six TePb6 octahedra and edges with twelve TeAgSbPb4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fourth Te2- site, Te2- is bonded to one Ag1+ and five Pb2+ atoms to form TeAgPb5 octahedra that share corners with six TeAgPb5 octahedra and edges with twelve TePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the fifth Te2- site, Te2- is bonded to five Pb2+ and one Sb3+ atom to form TeSbPb5 octahedra that share corners with six TeAgPb5 octahedra and edges with twelve TePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the sixth Te2- site, Te2- is bonded to one Ag1+, four Pb2+, and one Sb3+ atom to form TeAgSbPb4 octahedra that share corners with six TePb6 octahedra and edges with twelve TeAgSbPb4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. Both Te–Pb bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗
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Materials Data on SrCaPb2 by Materials Project

SrCaPb2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two SrCaPb2 ribbons oriented in the (0, 1, 0) direction. Sr is bonded in a linear geometry to two equivalent Pb atoms. Both Sr–Pb bond lengths are 3.30 Å. Ca is bonded in a linear geometry to two equivalent Pb atoms. Both Ca–Pb bond lengths are 3.13 Å. Pb is bonded in a linear geometry to one Sr and one Ca atom.

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