cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1694583
title: Materials Data on RbSm(SeO4)2 by Materials Project

description: RbSm(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.32 Å. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.70 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Sm3+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Sm3+, and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Sm3+, and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Sm3+, and one Se6+ atom.
DOI: 10.17188/1694584
title: Materials Data on CrReO4 by Materials Project

description: CrReO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are four shorter (2.00 Å) and two longer (2.03 Å) Cr–O bond lengths. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent CrO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There is two shorter (1.90 Å) and four longer (2.02 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Cr3+ and two equivalent Re5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Cr3+ and one Re5+ atom.
DOI: 10.17188/1694586
title: Materials Data on CsTbO3 by Materials Project

description: CsTbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent TbO6 octahedra. All Cs–O bond lengths are 3.25 Å. Tb is bonded to six equivalent O atoms to form TbO6 octahedra that share corners with six equivalent TbO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–O bond lengths are 2.30 Å. O is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Tb atoms.
DOI: 10.17188/1694588
title: Materials Data on YbTiClO3 by Materials Project

description: YbTiO3Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded in a 3-coordinate geometry to four O2- and four equivalent Cl1- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.88 Å. There are a spread of Yb–Cl bond distances ranging from 2.82–3.09 Å. Ti4+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Ti–O bond distances ranging from 1.84–2.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+ and three equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+ and two equivalent Ti4+ atoms. Cl1- is bonded in a 4-coordinate geometry to four equivalent Yb3+ atoms.
DOI: 10.17188/1694589
title: Materials Data on SrEuNiO4 by Materials Project

description: SrEuNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.75 Å. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.76 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ni–O bond distances ranging from 1.93–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, three equivalent Eu3+, and one Ni3+ atom to form distorted OSr2Eu3Ni octahedra that share corners with seventeen OSr2Eu2Ni2 octahedra, edges with eight OSr2Eu3Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to three equivalent Sr2+, two equivalent Eu3+, and one Ni3+ atom to form distorted OSr3Eu2Ni octahedra that share corners with seventeen OSr2Eu2Ni2 octahedra, edges with eight OSr2Eu3Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Ni3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.
DOI: 10.17188/1694590
title: Materials Data on Li3FeOF3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1694591
title: Materials Data on KRu2C4(ClO4)2 by Materials Project

description: KRu2C4(O4Cl)2 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four O2- and four equivalent Cl1- atoms. There are two shorter (2.81 Å) and two longer (3.16 Å) K–O bond lengths. There are two shorter (3.21 Å) and two longer (3.48 Å) K–Cl bond lengths. Ru+4.50+ is bonded in a square pyramidal geometry to four O2- and one Cl1- atom. There are two shorter (2.15 Å) and two longer (2.16 Å) Ru–O bond lengths. The Ru–Cl bond length is 2.49 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.23 Å. In the second C2+ site, C2+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru+4.50+ and one C2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ru+4.50+, and one C2+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru+4.50+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ru+4.50+, and one C2+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Ru+4.50+ atom.
DOI: 10.17188/1694592
title: Materials Data on Rb2CoAuF6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1694595
title: Materials Data on Dy2NiRuO6 by Materials Project

description: Dy2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.25–2.73 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of Ru–O bond distances ranging from 1.99–2.06 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are two shorter (2.05 Å) and four longer (2.09 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing ODy2NiRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Ru4+, and one Ni2+ atom.
DOI: 10.17188/1694597
title: Materials Data on Sm(NiSb)2 by Materials Project

description: Sm(NiSb)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.34 Å) and four longer (3.44 Å) Sm–Sb bond lengths. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.56 Å. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.51 Å) and four longer (2.55 Å) Ni–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ni2+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ni2+ atoms.
DOI: 10.17188/1694598
title: Materials Data on LuSnF7 by Materials Project

description: LuSnF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.14–2.32 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.01 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to one Lu3+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Lu3+ and one Sn4+ atom.
DOI: 10.17188/1694599
title: Materials Data on TlCuPd2 by Materials Project

description: Pd2CuTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2CuTl ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Cu and one Tl atom. The Pd–Cu bond length is 2.40 Å. The Pd–Tl bond length is 2.55 Å. Cu is bonded in a linear geometry to two equivalent Pd atoms. Tl is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1694600
title: Materials Data on GdHSO5 by Materials Project

description: GdHSO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.34–2.85 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Gd3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to three equivalent Gd3+ and one H1+ atom.
DOI: 10.17188/1694601
title: Materials Data on CaCo2(SiO3)4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1694602
title: Materials Data on RbSnO3 by Materials Project

description: RbSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Rb–O bond lengths are 2.97 Å. Sn is bonded to six equivalent O atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.10 Å. O is bonded to four equivalent Rb and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing ORb4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1694603
title: Materials Data on Li4Ti5VO12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1694604
title: Materials Data on BeCuO5F4 by Materials Project

description: (BeCu(OF)4)2O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one oxygen molecule and one BeCu(OF)4 sheet oriented in the (0, 1, 0) direction. In the BeCu(OF)4 sheet, there are two inequivalent Be sites. In the first Be site, Be is bonded to four F atoms to form distorted BeF4 trigonal pyramids that share a cornercorner with one CuO4F2 octahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Be–F bond distances ranging from 1.41–1.94 Å. In the second Be site, Be is bonded to four F atoms to form distorted BeF4 trigonal pyramids that share a cornercorner with one CuO4F2 octahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Be–F bond distances ranging from 1.41–1.94 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four O and two equivalent F atoms to form distorted CuO4F2 octahedra that share corners with two BeF4 trigonal pyramids. All Cu–O bond lengths are 2.05 Å. Both Cu–F bond lengths are 2.19 Å. In the second Cu site, Cu is bonded in a 4-coordinate geometry to four O and four F atoms. There are a spread of Cu–O bond distances ranging from 2.16–7.44 Å. There are a spread of Cu–F bond distances ranging from 1.77–6.35 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cu atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.21 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Cu and one O atom. The O–O bond length is 1.36 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Cu and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one O atom. There are five inequivalent F sites. In the first F site, F is bonded in a distorted bent 150 degrees geometry to one Be and one Cu atom. In the second F site, F is bonded in a distorted bent 150 degrees geometry to one Be and two equivalent Cu atoms. In the third F site, F is bonded in a distorted bent 150 degrees geometry to one Be and two equivalent Cu atoms. In the fourth F site, F is bonded in a single-bond geometry to one Be atom. In the fifth F site, F is bonded in a single-bond geometry to one Be atom.
DOI: 10.17188/1694606
title: Materials Data on Ba2TlPb by Materials Project

description: Ba2TlPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2TlPb ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to one Tl and one Pb atom. The Ba–Tl bond length is 3.23 Å. The Ba–Pb bond length is 3.12 Å. Tl is bonded in a linear geometry to two equivalent Ba atoms. Pb is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1694607
title: Materials Data on Er6NiI10 by Materials Project

description: Er6NiI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to one Ni and five I atoms to form a mixture of distorted edge and corner-sharing ErNiI5 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Er–Ni bond length is 2.63 Å. There are a spread of Er–I bond distances ranging from 3.02–3.33 Å. In the second Er site, Er is bonded to one Ni and five I atoms to form a mixture of distorted edge and corner-sharing ErNiI5 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. The Er–Ni bond length is 2.64 Å. There are a spread of Er–I bond distances ranging from 3.03–3.34 Å. In the third Er site, Er is bonded to one Ni and five I atoms to form a mixture of distorted edge and corner-sharing ErNiI5 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. The Er–Ni bond length is 2.61 Å. There are a spread of Er–I bond distances ranging from 3.09–3.34 Å. Ni is bonded in an octahedral geometry to six Er atoms. There are five inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two Er atoms. In the second I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the third I site, I is bonded in a distorted see-saw-like geometry to four Er atoms. In the fourth I site, I is bonded in a distorted T-shaped geometry to three Er atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Er atoms.
DOI: 10.17188/1694608
title: Materials Data on Mn2P3O10 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1694609
title: Materials Data on UClO5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1694610
title: Materials Data on NaInN by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1694611
title: Materials Data on Na2Ti2Si4O13 by Materials Project

description: Na2Ti2Si4O13 is Esseneite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.98 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four SiO4 tetrahedra and edges with two equivalent TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.82–2.18 Å. 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 TiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–55°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent Ti4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ti4+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two equivalent Ti4+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ti4+, and one Si4+ atom.
DOI: 10.17188/1694612
title: Materials Data on Y4Rh6Pb19 by Materials Project

description: Y4Rh6Pb19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to ten Pb atoms. There are a spread of Y–Pb bond distances ranging from 3.26–3.56 Å. Rh is bonded in a 7-coordinate geometry to one Rh and six Pb atoms. The Rh–Rh bond length is 2.81 Å. There are a spread of Rh–Pb bond distances ranging from 2.73–2.94 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Y and two equivalent Rh atoms. In the second Pb site, Pb is bonded in a distorted tetrahedral geometry to four equivalent Y atoms. In the third Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Y and two equivalent Rh atoms.