K2BaCu(NO2)6 crystallizes in the orthorhombic Fmmm space group. K(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra and faces with four equivalent Ba(1)O12 cuboctahedra. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share faces with eight equivalent K(1)O12 cuboctahedra. Cu(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. There are eight inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. In the second N site, N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(3) atoms. In the third N site, N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(3) atoms. In the fourth N site, N(2) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(2) atoms. In the fifth N site, N(2) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(2) atoms. In the sixth N site, N(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. In the seventh N site, N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(3) atoms. In the eighth N site, N(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(1) atom.
K2BaCu(NO2)6 crystallizes in the orthorhombic Fmmm space group. K(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra and faces with four equivalent Ba(1)O12 cuboctahedra. All K(1)-O(1) bond lengths are 3.26 Å. All K(1)-O(2) bond lengths are 3.17 Å. All K(1)-O(3) bond lengths are 3.30 Å. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share faces with eight equivalent K(1)O12 cuboctahedra. All Ba(1)-O(1) bond lengths are 2.92 Å. All Ba(1)-O(2) bond lengths are 2.90 Å. All Ba(1)-O(3) bond lengths are 2.93 Å. Cu(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Cu(1)-N(1) bond lengths are 2.06 Å. Both Cu(1)-N(2) bond lengths are 2.39 Å. Both Cu(1)-N(3) bond lengths are 2.06 Å. There are eight inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. The N(3)-Cu(1) bond length is 2.06 Å. Both N(3)-O(1) bond lengths are 1.26 Å. In the second N site, N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(3) atoms. Both N(1)-O(3) bond lengths are 1.26 Å. In the third N site, N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(3) atoms. The N(1)-Cu(1) bond length is 2.06 Å. Both N(1)-O(3) bond lengths are 1.26 Å. In the fourth N site, N(2) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(2) atoms. Both N(2)-O(2) bond lengths are 1.27 Å. In the fifth N site, N(2) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(2) atoms. The N(2)-Cu(1) bond length is 2.39 Å. Both N(2)-O(2) bond lengths are 1.27 Å. In the sixth N site, N(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. Both N(3)-O(1) bond lengths are 1.26 Å. In the seventh N site, N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(3) atoms. The N(1)-Cu(1) bond length is 2.06 Å. Both N(1)-O(3) bond lengths are 1.26 Å. In the eighth N site, N(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. The N(3)-Cu(1) bond length is 2.06 Å. Both N(3)-O(1) bond lengths are 1.26 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(1) atom.