Yb3Sb5O12 crystallizes in the cubic Im-3m space group. There are nine inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the third Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the fourth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the fifth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the sixth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the seventh Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the eighth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the ninth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are sixteen inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the third Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fourth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fifth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the sixth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the seventh Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the eighth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the ninth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the tenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the eleventh Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the twelfth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the thirteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fourteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the fifteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the sixteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to two Yb(1,1); one Sb(1); and one Sb(2) atom to form a mixture of edge and corner-sharing OYb2Sb2 tetrahedra.
Yb3Sb5O12 crystallizes in the cubic Im-3m space group. There are nine inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the second Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the third Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the fourth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the fifth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the sixth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the seventh Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the eighth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. In the ninth Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.45 Å. There are sixteen inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the second Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sb(2)-O(1) bond lengths are 2.05 Å. In the third Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the fourth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the fifth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sb(2)-O(1) bond lengths are 2.05 Å. In the sixth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the seventh Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the eighth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sb(2)-O(1) bond lengths are 2.05 Å. In the ninth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sb(2)-O(1) bond lengths are 2.05 Å. In the tenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the eleventh Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sb(2)-O(1) bond lengths are 2.05 Å. In the twelfth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the thirteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the fourteenth Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.05 Å. In the fifteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sb(2)-O(1) bond lengths are 2.05 Å. In the sixteenth Sb site, Sb(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sb(2)-O(1) bond lengths are 2.05 Å. O(1) is bonded to two Yb(1,1); one Sb(1); and one Sb(2) atom to form a mixture of edge and corner-sharing OYb2Sb2 tetrahedra.