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DOE OSTI2020

Materials Data on YbIO9 by Materials Project

YbO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.35–2.74 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.28 Å. The O–I bond length is 2.23 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb and one I atom. The O–I bond length is 1.90 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Yb and one O atom. The O–O bond length is 1.29 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.30 Å. In the sixth O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Yb and one O atom. In the eighth O site, O is bonded in a water-like geometry to one Yb and one O atom. In the ninth O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. I is bonded in a square pyramidal geometry to five O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2CuGe6 by Materials Project

Yb2CuGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded to two equivalent Cu and ten Ge atoms to form a mixture of distorted edge, face, and corner-sharing YbCu2Ge10 cuboctahedra. There are one shorter (3.17 Å) and one longer (3.19 Å) Yb–Cu bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.00–3.35 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.43–2.52 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Yb and two Ge atoms. There are one shorter (2.52 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb, one Cu, and two Ge atoms. The Ge–Ge bond length is 2.47 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb19Mg8 by Materials Project

Mg8Yb19 is Tungsten structured and crystallizes in the cubic Im-3 space group. The structure is zero-dimensional and consists of two Mg8Yb19 clusters. Mg is bonded in a 7-coordinate geometry to seven Yb atoms. There are a spread of Mg–Yb bond distances ranging from 3.41–3.58 Å. There are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 2-coordinate geometry to two equivalent Mg atoms. In the second Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the third Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structure of molten ytterbium aluminum garnet

Rare earth aluminum garnets are important materials in optical, dielectric, and thermal barrier applications. To advance the understanding of their melt processing and glass forming ability, we report the atomic structure of molten Yb 3 Al 5 O 12 over 1770–2630 K, which spans the equilibrium and supercooled liquid regimes. The melt density at T m = 2283 K is 5.50 g cm –3 , measured via silhouette imaging of electrostatically levitated drops over 1010–2420 K. Four separate structure measurements were made with aerodynamically levitated melts using x-ray and neutron diffraction with isotope substitution of Yb ( 172 Yb, 174 Yb, or nat Yb). Empirical potential structure refinement models were developed, which are in excellent agreement with the experiments. Coordination environments for Al–O are predominantly 4- and 5-coordinate, with a mean coordination of n AlO = 4.43(8), while Yb–O environments mostly range from 5- to 8-coordinate, with n YbO = 6.26(8). The cation–oxygen polyhedra are connected primarily by corner-sharing, with edge-sharing constituting up to ~1/3 of the connectivity among polyhedra with Yb or higher-coordinated Al–O. Structurally, the –Al–O– network in molten Yb 3 Al 5 O 12 appears conducive to glass formation: n OAl = 1.85(3), there are 1.86 AlO x –AlO x connections per Al atom (e.g., a mixture of Q 3 and Q 4 units), and the modal ring size is six cations. These characterize a network that is somewhat less constrained compared to SiO 2 glass, yet Yb 3 Al 5 O 12 cannot be quenched into crystal-free glass. Here, aluminum garnet compositions with larger rare earth cations do form glass, so these characterizations help reveal the structural characteristics corresponding to the limit of glass forming ability in rare earth aluminates.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li4Yb5Ge4 by Materials Project

Li4Yb5Ge4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are two shorter (2.70 Å) and one longer (2.86 Å) Li–Ge bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.09–3.15 Å. In the second Yb site, Yb is bonded in a square co-planar geometry to four equivalent Ge atoms. All Yb–Ge bond lengths are 3.17 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Li and six Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Pb by Materials Project

Yb2Pb is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Yb–Pb bond distances ranging from 3.36–3.71 Å. In the second Yb site, Yb is bonded to four equivalent Pb atoms to form a mixture of distorted corner and edge-sharing YbPb4 trigonal pyramids. There are three shorter (3.16 Å) and one longer (3.33 Å) Yb–Pb bond lengths. Pb is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5Ge3 by Materials Project

Yb5Ge3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Yb–Ge bond lengths are 3.19 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.00–3.38 Å. Ge is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Ge by Materials Project

Yb2Ge is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing YbGe4 tetrahedra. There are a spread of Yb–Ge bond distances ranging from 2.96–3.03 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.08–3.53 Å. Ge is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5Sb3 by Materials Project

Yb5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.10–3.66 Å. In the second Yb site, Yb is bonded to six equivalent Sb atoms to form a mixture of distorted edge, corner, and face-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles are 36°. All Yb–Sb bond lengths are 3.29 Å. Sb is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbMg2 by Materials Project

Mg2Yb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Yb atoms to form a mixture of corner, edge, and face-sharing MgYb6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. All Mg–Yb bond lengths are 3.66 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Yb atoms to form a mixture of corner, edge, and face-sharing MgYb6Mg6 cuboctahedra. There are two shorter (3.08 Å) and two longer (3.16 Å) Mg–Mg bond lengths. There are two shorter (3.58 Å) and four longer (3.65 Å) Mg–Yb bond lengths. Yb is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Yb atoms. There are one shorter (3.76 Å) and three longer (3.81 Å) Yb–Yb bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbB2Ru3 by Materials Project

YbRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to two equivalent Yb, twelve equivalent Ru, and six equivalent B atoms. Both Yb–Yb bond lengths are 2.95 Å. All Yb–Ru bond lengths are 3.15 Å. All Yb–B bond lengths are 3.21 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Yb and four equivalent B atoms. All Ru–B bond lengths are 2.18 Å. B is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Tl by Materials Project

Yb2Tl is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Tl atoms to form a mixture of distorted edge and corner-sharing YbTl4 tetrahedra. There are a spread of Yb–Tl bond distances ranging from 3.19–3.28 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.37–3.69 Å. Tl is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Au by Materials Project

Yb2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing YbAu4 tetrahedra. There are a spread of Yb–Au bond distances ranging from 2.99–3.11 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Au atoms. There are a spread of Yb–Au bond distances ranging from 3.16–3.53 Å. Au is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Ag2 by Materials Project

Yb3Ag2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Ag atoms. There are four shorter (3.18 Å) and two longer (3.19 Å) Yb–Ag bond lengths. In the second Yb site, Yb is bonded in a square co-planar geometry to four equivalent Ag atoms. All Yb–Ag bond lengths are 3.22 Å. Ag is bonded in a 9-coordinate geometry to eight Yb and one Ag atom. The Ag–Ag bond length is 3.00 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5Pb3 by Materials Project

Yb5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Yb–Pb bond distances ranging from 3.25–3.60 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Yb–Pb bond lengths are 3.39 Å. Pb is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2In by Materials Project

Yb2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent In atoms. There are a spread of Yb–In bond distances ranging from 3.36–3.71 Å. In the second Yb site, Yb is bonded to four equivalent In atoms to form a mixture of distorted edge and corner-sharing YbIn4 tetrahedra. There are a spread of Yb–In bond distances ranging from 3.22–3.27 Å. In is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Ga10Ru3 by Materials Project

Yb2Ru3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four Ru and ten Ga atoms. There are two shorter (3.19 Å) and two longer (3.27 Å) Yb–Ru bond lengths. There are a spread of Yb–Ga bond distances ranging from 2.95–3.03 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to two equivalent Yb and ten Ga atoms to form distorted RuYb2Ga10 cuboctahedra that share corners with two equivalent RuYb2Ga10 cuboctahedra, edges with five equivalent RuYb2Ga10 cuboctahedra, and faces with four equivalent RuYb4Ga8 cuboctahedra. There are a spread of Ru–Ga bond distances ranging from 2.65–2.72 Å. In the second Ru site, Ru is bonded to four equivalent Yb and eight Ga atoms to form distorted RuYb4Ga8 cuboctahedra that share corners with four equivalent RuYb4Ga8 cuboctahedra and faces with eight equivalent RuYb2Ga10 cuboctahedra. All Ru–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.94 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.72 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Yb, two equivalent Ru, and five Ga atoms. The Ga–Ga bond length is 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBiO3 by Materials Project

BiYbO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share a cornercorner with one BiO6 octahedra, a cornercorner with one YbO5 square pyramid, a cornercorner with one YbO5 trigonal bipyramid, an edgeedge with one YbO6 octahedra, and edges with two BiO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Yb–O bond distances ranging from 2.31–2.56 Å. In the second Yb3+ site, Yb3+ is bonded to five O2- atoms to form distorted YbO5 square pyramids that share a cornercorner with one BiO6 octahedra, corners with two YbO6 octahedra, a cornercorner with one BiO5 square pyramid, edges with two BiO6 octahedra, and an edgeedge with one YbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 61–69°. There are a spread of Yb–O bond distances ranging from 2.23–2.56 Å. In the third Yb3+ site, Yb3+ is bonded to five O2- atoms to form distorted YbO5 trigonal bipyramids that share a cornercorner with one YbO6 octahedra, corners with three BiO6 octahedra, a cornercorner with one BiO5 square pyramid, an edgeedge with one YbO6 octahedra, and an edgeedge with one YbO5 square pyramid. The corner-sharing octahedra tilt angles range from 54–65°. There are a spread of Yb–O bond distances ranging from 2.24–2.47 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.24–2.63 Å. In the fifth Yb3+ site, Yb3+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share a cornercorner with one BiO6 octahedra, a cornercorner with one YbO5 square pyramid, a cornercorner with one BiO5 square pyramid, an edgeedge with one YbO6 octahedra, an edgeedge with one BiO6 octahedra, and an edgeedge with one YbO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. There are a spread of Yb–O bond distances ranging from 2.24–2.62 Å. In the sixth Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.51 Å. In the seventh Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.60 Å. In the eighth Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.25–2.57 Å. There are eight inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with three BiO6 octahedra, a cornercorner with one YbO5 trigonal bipyramid, an edgeedge with one YbO6 octahedra, an edgeedge with one YbO5 square pyramid, and an edgeedge with one BiO5 square pyramid. The corner-sharing octahedra tilt angles range from 29–61°. There are a spread of Bi–O bond distances ranging from 2.09–2.26 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share a cornercorner with one YbO6 octahedra, corners with two BiO6 octahedra, a cornercorner with one YbO5 square pyramid, a cornercorner with one BiO5 square pyramid, and an edgeedge with one YbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–O bond distances ranging from 2.10–2.24 Å. In the third Bi3+ site, Bi3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.04–2.30 Å. In the fourth Bi3+ site, Bi3+ is bonded to five O2- atoms to form BiO5 square pyramids that share a cornercorner with one YbO6 octahedra, corners with three BiO6 octahedra, a cornercorner with one YbO5 square pyramid, a cornercorner with one YbO5 trigonal bipyramid, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–69°. There are a spread of Bi–O bond distances ranging from 2.22–2.37 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.08–2.70 Å. In the sixth Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share a cornercorner with one YbO6 octahedra, corners with two BiO6 octahedra, a cornercorner with one BiO5 square pyramid, a cornercorner with one YbO5 trigonal bipyramid, and an edgeedge with one YbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–65°. There are a spread of Bi–O bond distances ranging from 2.07–2.28 Å. In the seventh Bi3+ site, Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with three BiO6 octahedra, a cornercorner with one BiO5 square pyramid, a cornercorner with one YbO5 trigonal bipyramid, and an edgeedge with one YbO5 square pyramid. The corner-sharing octahedra tilt angles range from 29–48°. There are a spread of Bi–O bond distances ranging from 2.07–2.23 Å. In the eighth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–3.00 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form distorted OYb3Bi tetrahedra that share corners with ten OYb3Bi tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, and edges with two OYbBi3 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Yb3+ and two Bi3+ atoms. In the third O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form distorted OYbBi3 trigonal pyramids that share corners with eight OYbBi3 tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, edges with three OYb3Bi tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the fourth O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with eight OYbBi3 tetrahedra, corners with two OYbBi3 trigonal pyramids, edges with two OYb3Bi tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the fifth O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with eight OYb3Bi tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, edges with two OYb3Bi tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the sixth O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form distorted OYb3Bi tetrahedra that share corners with eleven OYb3Bi tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, and edges with two OYb3Bi tetrahedra. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to two Yb3+ and one Bi3+ atom. In the eighth O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form distorted OYbBi3 tetrahedra that share corners with seven OYbBi3 tetrahedra, corners with two OYbBi3 trigonal pyramids, and edges with three OYb3Bi tetrahedra. In the ninth O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form distorted OYbBi3 trigonal pyramids that share corners with nine OYbBi3 tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, edges with three OYb3Bi tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the tenth O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form distorted OYb3Bi tetrahedra that share corners with ten OYb3Bi tetrahedra, corners with two OYbBi3 trigonal pyramids, and edges with three OYb3Bi tetrahedra. In the eleventh O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with nine OYb3Bi tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, edges with five OYbBi3 tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the twelfth O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with ten OYb3Bi tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, edges with two OYb3Bi tetrahedra, and edges with two OYbBi3 trigonal pyramids. In the thirteenth O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form distorted OYbBi3 trigonal pyramids that share corners with eight OYbBi3 tetrahedra, corners with two OYbBi3 trigonal pyramids, and edges with four OYb3Bi tetrahedra. In the fourteenth O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form distorted OYbBi3 tetrahedra that share corners with nine OYb3Bi tetrahedra, corners with two OYbBi3 trigonal pyramids, edges with three OYb3Bi tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the fifteenth O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form OYbBi3 tetrahedra that share corners with five OYb3Bi tetrahedra, corners with two OYbBi3 trigonal pyramids, and edges with five OYbBi3 tetrahedra. In the sixteenth O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with ten OYbBi3 tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, and edges with three OYb3Bi tetrahedra. In the seventeenth O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with nine OYb3Bi tetrahedra, edges with four OYbBi3 tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the eighteenth O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form OYbBi3 tetrahedra that share corners with six OYbBi3 tetrahedra, corners with two OYbBi3 trigonal pyramids, and edges with four OYb3Bi tetrahedra. In the nineteenth O2- site, O2- is bonded to one Yb3+ and three Bi3+ atoms to form distorted OYbBi3 tetrahedra that share corners with nine OYbBi3 tetrahedra, corners with three OYbBi3 trigonal pyramids, and edges with three OYb3Bi tetrahedra. In the twentieth O2- site, O2- is bonded in a distorted T-shaped geometry to one Yb3+ and three Bi3+ atoms. In the twenty-first O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with eleven OYbBi3 tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, edges with two OYb3Bi tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the twenty-second O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form OYb3Bi tetrahedra that share corners with nine OYb3Bi tetrahedra, corners with two OYbBi3 trigonal pyramids, edges with four OYb3Bi tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the twenty-third O2- site, O2- is bonded to three Yb3+ and one Bi3+ atom to form distorted OYb3Bi tetrahedra that share corners with nine OYb3Bi tetrahedra, a cornercorner with one OYbBi3 trigonal pyramid, edges with three OYbBi3 tetrahedra, and an edgeedge with one OYbBi3 trigonal pyramid. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+ and three Bi3+ atoms.

36 MATERIALS SCIENCE↗