Materials Data on Na2RhS2O11 by Materials Project

Na2RhS2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.31–2.78 Å. In the second Na site, Na is bonded to five O atoms to form distorted NaO5 trigonal bipyramids that share a cornercorner with one RhO5 square pyramid and corners with three SO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.32–2.82 Å. Rh is bonded to five O atoms to form RhO5 square pyramids that share corners with four SO4 tetrahedra and a cornercorner with one NaO5 trigonal bipyramid. There are a spread of Rh–O bond distances ranging from 1.86–2.08 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent RhO5 square pyramids and a cornercorner with one NaO5 trigonal bipyramid. There are a spread of S–O bond distances ranging from 1.45–1.55 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent RhO5 square pyramids and corners with two equivalent NaO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.45–1.55 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Rh and one S atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Rh, and one S atom. In the third O site, O is bonded in a 3-coordinate geometry to two Na and one S atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Na and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two Na and one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Rh and one S atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Na and one Rh atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Rh, and one S atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one S atom. In the eleventh O site, O is bonded in a trigonal non-coplanar geometry to two Na and one O atom.