Materials Data on YbZrF7 by Materials Project
YbZrF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Yb–F bond distances ranging from 2.26–2.38 Å. Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.01–2.13 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Yb3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Yb3+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to one Yb3+ and one Zr4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one Zr4+ atom. In the seventh F1- site, F1- is bonded in a distorted linear geometry to one Yb3+ and one Zr4+ atom.