Materials Data on Er2Ga10Os3 by Materials Project
Er2Os3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to four Os and ten Ga atoms. There are two shorter (3.20 Å) and two longer (3.26 Å) Er–Os bond lengths. There are a spread of Er–Ga bond distances ranging from 2.93–3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to two equivalent Er and ten Ga atoms to form distorted OsEr2Ga10 cuboctahedra that share corners with two equivalent OsEr2Ga10 cuboctahedra, edges with five equivalent OsEr2Ga10 cuboctahedra, and faces with four equivalent OsEr4Ga8 cuboctahedra. There are a spread of Os–Ga bond distances ranging from 2.64–2.72 Å. In the second Os site, Os is bonded to four equivalent Er and eight Ga atoms to form distorted OsEr4Ga8 cuboctahedra that share corners with four equivalent OsEr4Ga8 cuboctahedra and faces with eight equivalent OsEr2Ga10 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.92 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.72 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Er, two equivalent Os, and five Ga atoms. The Ga–Ga bond length is 2.77 Å.