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DOE OSTI2020

Materials Data on Lu3Bi(Ru2O7)2 by Materials Project

Lu3Bi(Ru2O7)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.44 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Ru–O bond lengths are 2.01 Å. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are four shorter (2.00 Å) and two longer (2.01 Å) Ru–O bond lengths. Bi3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.31 Å) and six longer (2.47 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one Bi3+ atom to form OLu3Bi tetrahedra that share corners with ten OLu3Bi tetrahedra and edges with three equivalent OLu2Ru2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Lu3+ and two Ru4+ atoms to form a mixture of distorted corner and edge-sharing OLu2Ru2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Lu3+, two equivalent Ru4+, and one Bi3+ atom.

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Materials Data on Pr3Lu2(GaO4)3 by Materials Project

Lu2Pr3(GaO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Lu–O bond lengths are 2.21 Å. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.49 Å) and four longer (2.58 Å) Pr–O bond lengths. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent LuO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Ga–O bond lengths are 1.89 Å. O2- is bonded in a 4-coordinate geometry to one Lu3+, two equivalent Pr3+, and one Ga3+ atom.

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Materials Data on LuUTe6 by Materials Project

ULuTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two ULuTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. All U–Te bond lengths are 3.22 Å. Lu3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Lu–Te bond distances ranging from 3.22–3.24 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Lu3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Lu3+ atoms. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Lu3+ and four equivalent Te1- atoms.

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Materials Data on NdLuS3 by Materials Project

LuNdS3 is Ilmenite-like structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form distorted LuS6 pentagonal pyramids that share corners with eight equivalent NdS6 octahedra, edges with two equivalent NdS6 octahedra, and faces with two equivalent LuS6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 22–70°. There are a spread of Lu–S bond distances ranging from 2.66–2.81 Å. Nd3+ is bonded to six S2- atoms to form NdS6 octahedra that share corners with two equivalent NdS6 octahedra, corners with eight equivalent LuS6 pentagonal pyramids, edges with two equivalent NdS6 octahedra, and edges with two equivalent LuS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 58°. There are a spread of Nd–S bond distances ranging from 2.80–2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Lu3+ and two equivalent Nd3+ atoms to form corner-sharing SNd2Lu2 tetrahedra. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Lu3+ and two equivalent Nd3+ atoms.

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Materials Data on LuTe3 by Materials Project

LuTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LuTe3 sheets oriented in the (0, 1, 0) direction. Lu3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Lu–Te bond distances ranging from 3.15–3.25 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to five equivalent Lu3+ atoms. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Lu3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.05 Å. In the third Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Lu3+ and four equivalent Te1- atoms.

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Materials Data on LiLuO2 by Materials Project

LiLuO2 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.06 Å. Lu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 16–26°. There are a spread of Lu–O bond distances ranging from 2.17–2.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Lu3+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Lu3 square pyramids.

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Materials Data on LuZnCuAs2 by Materials Project

LuCuZnAs2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Lu3+ is bonded to six As3- atoms to form LuAs6 octahedra that share corners with six equivalent CuAs4 tetrahedra, corners with six equivalent ZnAs4 tetrahedra, edges with six equivalent LuAs6 octahedra, edges with three equivalent CuAs4 tetrahedra, and edges with three equivalent ZnAs4 tetrahedra. There are three shorter (2.81 Å) and three longer (2.94 Å) Lu–As bond lengths. Cu1+ is bonded to four As3- atoms to form CuAs4 tetrahedra that share corners with six equivalent LuAs6 octahedra, corners with six equivalent CuAs4 tetrahedra, edges with three equivalent LuAs6 octahedra, and edges with three equivalent ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–53°. There are three shorter (2.49 Å) and one longer (2.60 Å) Cu–As bond lengths. Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with six equivalent LuAs6 octahedra, corners with six equivalent ZnAs4 tetrahedra, edges with three equivalent LuAs6 octahedra, and edges with three equivalent CuAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–57°. There are one shorter (2.51 Å) and three longer (2.52 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Lu3+, one Cu1+, and three equivalent Zn2+ atoms to form distorted AsLu3Zn3Cu pentagonal bipyramids that share corners with three equivalent AsLu3ZnCu3 pentagonal bipyramids and edges with twelve AsLu3Zn3Cu pentagonal bipyramids. In the second As3- site, As3- is bonded to three equivalent Lu3+, three equivalent Cu1+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing AsLu3ZnCu3 pentagonal bipyramids.

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Materials Data on Lu2MnSe4 by Materials Project

Lu2MnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Se2- atoms to form LuSe6 octahedra that share corners with six equivalent MnSe4 tetrahedra and edges with six equivalent LuSe6 octahedra. All Lu–Se bond lengths are 2.81 Å. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with twelve equivalent LuSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mn–Se bond lengths are 2.56 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Lu3+ and one Mn2+ atom.

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Materials Data on LuF3 by Materials Project

LuF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Lu–F bond distances ranging from 2.23–2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Lu3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms.

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Materials Data on LuNiO3 by Materials Project

LuNiO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.62 Å. There are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Ni–O bond distances ranging from 1.99–2.04 Å. In the second Ni3+ site, Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Ni–O bond distances ranging from 1.91–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two Ni3+ atoms to form distorted corner-sharing OLu2Ni2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two Ni3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two Ni3+ atoms.

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Materials Data on LuPtF7 by Materials Project

LuPtF7 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 2.13–2.35 Å. Pt4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Pt–F bond distances ranging from 1.96–1.98 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 Pt4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Pt4+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Pt4+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to one Lu3+ and one Pt4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Pt4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Lu3+ and one Pt4+ atom.

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Materials Data on LuAg(WO4)2 by Materials Project

LuAg(WO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.28–2.53 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.82–2.14 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.81–2.20 Å. Ag1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.95 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+, two W6+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+, one W6+, and one Ag1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+, one W6+, and one Ag1+ atom. In the fourth O2- site, O2- is bonded to three W6+ and one Ag1+ atom to form distorted edge-sharing OAgW3 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+, one W6+, and one Ag1+ atom.

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Materials Data on SmLuO3 by Materials Project

SmLuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of Lu–O bond distances ranging from 2.19–2.24 Å. Sm3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OSm2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and three equivalent Sm3+ atoms.

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Materials Data on Cs2RbLuCl6 by Materials Project

Cs2RbLuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent RbCl6 octahedra, and faces with four equivalent LuCl6 octahedra. All Cs–Cl bond lengths are 4.06 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent LuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.15 Å. Lu3+ is bonded to six equivalent Cl1- atoms to form LuCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Cl bond lengths are 2.58 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Lu3+ atom.

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Materials Data on LuMn4(CuO4)3 by Materials Project

LuCu3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent O2- atoms to form LuO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Lu–O bond lengths are 2.53 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All Mn–O bond lengths are 1.96 Å. Cu1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. O2- is bonded in a 4-coordinate geometry to one Lu3+, two equivalent Mn+4.50+, and one Cu1+ atom.

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Materials Data on LuAgS2 by Materials Project

LuAgS2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with four equivalent LuS6 octahedra, edges with four equivalent LuS6 octahedra, and edges with eight equivalent AgS6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. All Lu–S bond lengths are 2.69 Å. Ag1+ is bonded to six S2- atoms to form distorted AgS6 octahedra that share corners with two equivalent LuS6 octahedra, corners with four equivalent AgS6 octahedra, edges with four equivalent AgS6 octahedra, and edges with eight equivalent LuS6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are four shorter (2.69 Å) and two longer (3.32 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Lu3+ and three equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing SLu3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. In the second S2- site, S2- is bonded to three equivalent Lu3+ and three equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing SLu3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°.

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Materials Data on BaLuCo4O7 by Materials Project

BaLuCo4O7 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.33 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with twelve CoO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.20–2.26 Å. There are four inequivalent Co+2.25+ sites. In the first Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent LuO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Co–O bond distances ranging from 1.94–2.01 Å. In the second Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent LuO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Co–O bond distances ranging from 1.87–1.93 Å. In the third Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent LuO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–58°. There are a spread of Co–O bond distances ranging from 1.96–2.01 Å. In the fourth Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent LuO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Co–O bond distances ranging from 1.95–2.01 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Lu3+, and two Co+2.25+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four Co+2.25+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Lu3+, and two Co+2.25+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Lu3+, and two Co+2.25+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Lu3+, and two Co+2.25+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Lu3+, and two Co+2.25+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Lu3+, and two Co+2.25+ atoms.

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Materials Data on Ba3SrLu2(BiO6)2 by Materials Project

Ba3SrLu2(BiO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, corners with eight equivalent SrO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with four equivalent LuO6 octahedra, and faces with four equivalent BiO6 octahedra. There are four shorter (3.03 Å) and eight longer (3.05 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, faces with four equivalent LuO6 octahedra, and faces with four equivalent BiO6 octahedra. All Ba–O bond lengths are 3.03 Å. In the third Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with two equivalent BaO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, faces with four equivalent LuO6 octahedra, and faces with four equivalent BiO6 octahedra. All Ba–O bond lengths are 3.03 Å. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight equivalent BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with four equivalent LuO6 octahedra, and faces with four equivalent BiO6 octahedra. There are eight shorter (3.02 Å) and four longer (3.03 Å) Sr–O bond lengths. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent BiO6 octahedra, faces with two equivalent SrO12 cuboctahedra, and faces with six BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Lu–O bond distances ranging from 2.16–2.18 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent LuO6 octahedra, faces with two equivalent SrO12 cuboctahedra, and faces with six BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are one shorter (2.11 Å) and five longer (2.12 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Sr2+, one Lu3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Lu3+, and one Bi5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to three Ba2+, one Sr2+, one Lu3+, and one Bi5+ atom.

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