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NASA NTRS1988

Crystallization of BaF2-ZnF2-YbF3-ThF4 glass

The phases and the rates of crystallization in a Ba-Zn-Yb-Th fluoride glass were studied using differential scanning calorimetry, XRD, and observational and chemical SEM analyses. The crystallizing phases that were identified included a BaYbTh fluoride, ZnF2, and YbF3. The BaYbTh fluoride crystallized first at about 450 C, and ZnF2, which was excluded from this phase, crystallized at its surfaces. At higher temperatures, the BaYbTh fluoride phase decomposed partially to BaThF6 and YbF3 phases.

Garcia, Roberto↗

DOE OSTI2020

Materials Data on YbF3 by Materials Project

YbF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Yb–F bond distances ranging from 2.28–2.40 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Yb3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbF3 by Materials Project

YbF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.41 Å) and six longer (2.78 Å) Yb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Yb3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FYb4F4 tetrahedra. All F–F bond lengths are 2.41 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Yb3+ and eight equivalent F1- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbF3 by Materials Project

YbF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded to twelve F1- atoms to form YbF12 cuboctahedra that share corners with four equivalent YbF12 cuboctahedra, corners with eight equivalent FYb4F8 cuboctahedra, corners with sixteen equivalent FYb4F4 tetrahedra, edges with eight equivalent YbF12 cuboctahedra, edges with eight equivalent FYb4F4 tetrahedra, faces with four equivalent YbF12 cuboctahedra, and faces with six equivalent FYb4F8 cuboctahedra. There are eight shorter (2.41 Å) and four longer (2.59 Å) Yb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Yb3+ and four equivalent F1- atoms to form distorted FYb4F4 tetrahedra that share corners with eight equivalent YbF12 cuboctahedra, corners with eight equivalent FYb4F8 cuboctahedra, corners with eight equivalent FYb4F4 tetrahedra, edges with four equivalent YbF12 cuboctahedra, edges with four equivalent FYb4F8 cuboctahedra, edges with twelve equivalent FYb4F4 tetrahedra, and faces with six equivalent FYb4F4 tetrahedra. All F–F bond lengths are 2.41 Å. In the second F1- site, F1- is bonded to four equivalent Yb3+ and eight equivalent F1- atoms to form distorted FYb4F8 cuboctahedra that share corners with four equivalent FYb4F8 cuboctahedra, corners with eight equivalent YbF12 cuboctahedra, corners with sixteen equivalent FYb4F4 tetrahedra, edges with eight equivalent FYb4F8 cuboctahedra, edges with eight equivalent FYb4F4 tetrahedra, faces with four equivalent FYb4F8 cuboctahedra, and faces with six equivalent YbF12 cuboctahedra.

36 MATERIALS SCIENCE↗