Materials Data on Yb7Cl15 by Materials Project
Yb7Cl15 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Yb+2.14+ sites. In the first Yb+2.14+ site, Yb+2.14+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.75–2.88 Å. In the second Yb+2.14+ site, Yb+2.14+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.75–2.99 Å. In the third Yb+2.14+ site, Yb+2.14+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Yb–Cl bond distances ranging from 2.73–2.87 Å. In the fourth Yb+2.14+ site, Yb+2.14+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Yb–Cl bond distances ranging from 2.71–3.06 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Yb+2.14+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.14+ atoms. In the third Cl1- site, Cl1- is bonded to four Yb+2.14+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Yb+2.14+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Yb+2.14+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Yb+2.14+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.14+ atoms. In the eighth Cl1- site, Cl1- is bonded to four Yb+2.14+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra.