Materials Data on Dy4BClO7 by Materials Project
Dy4BO7Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.37 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.28–2.39 Å. The Dy–Cl bond length is 2.98 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.25–2.77 Å. The Dy–Cl bond length is 3.26 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 5-coordinate geometry to five O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.21–2.36 Å. The Dy–Cl bond length is 2.90 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the second O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. In the sixth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the seventh O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of distorted edge and corner-sharing ODy4 tetrahedra. Cl1- is bonded in a 2-coordinate geometry to three Dy3+ atoms.