Rb3NiO2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the monoclinic P2_1 space group. There are six inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted linear geometry to one O(1) and one O(3) atom. In the second Rb site, Rb(2) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. In the third Rb site, Rb(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form a mixture of edge and corner-sharing RbO4 tetrahedra. In the fourth Rb site, Rb(4) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing RbO4 tetrahedra. In the fifth Rb site, Rb(5) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of distorted edge and corner-sharing RbO4 tetrahedra. In the sixth Rb site, Rb(6) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing RbO4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to one O(2) and one O(4) atom. In the second Ni site, Ni(2) is bonded in a linear geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(5), one Rb(6), two equivalent Rb(3), and one Ni(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(5), one Rb(6), two equivalent Rb(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(5), one Rb(6), two equivalent Rb(3), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(5), one Rb(6), two equivalent Rb(4), and one Ni(1) atom.
Rb3NiO2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the monoclinic P2_1 space group. There are six inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted linear geometry to one O(1) and one O(3) atom. The Rb(1)-O(1) bond length is 2.71 Å. The Rb(1)-O(3) bond length is 2.71 Å. In the second Rb site, Rb(2) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. The Rb(2)-O(2) bond length is 2.71 Å. The Rb(2)-O(4) bond length is 2.71 Å. In the third Rb site, Rb(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form a mixture of edge and corner-sharing RbO4 tetrahedra. There is one shorter (2.91 Å) and one longer (2.96 Å) Rb(3)-O(1) bond length. There is one shorter (2.95 Å) and one longer (2.98 Å) Rb(3)-O(3) bond length. In the fourth Rb site, Rb(4) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing RbO4 tetrahedra. There is one shorter (2.92 Å) and one longer (2.97 Å) Rb(4)-O(2) bond length. There is one shorter (2.96 Å) and one longer (2.99 Å) Rb(4)-O(4) bond length. In the fifth Rb site, Rb(5) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of distorted edge and corner-sharing RbO4 tetrahedra. The Rb(5)-O(1) bond length is 2.96 Å. The Rb(5)-O(2) bond length is 2.97 Å. The Rb(5)-O(3) bond length is 2.98 Å. The Rb(5)-O(4) bond length is 2.90 Å. In the sixth Rb site, Rb(6) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing RbO4 tetrahedra. The Rb(6)-O(1) bond length is 2.99 Å. The Rb(6)-O(2) bond length is 2.95 Å. The Rb(6)-O(3) bond length is 2.92 Å. The Rb(6)-O(4) bond length is 2.96 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to one O(2) and one O(4) atom. The Ni(1)-O(2) bond length is 1.80 Å. The Ni(1)-O(4) bond length is 1.80 Å. In the second Ni site, Ni(2) is bonded in a linear geometry to one O(1) and one O(3) atom. The Ni(2)-O(1) bond length is 1.80 Å. The Ni(2)-O(3) bond length is 1.80 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(5), one Rb(6), two equivalent Rb(3), and one Ni(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(5), one Rb(6), two equivalent Rb(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(5), one Rb(6), two equivalent Rb(3), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(5), one Rb(6), two equivalent Rb(4), and one Ni(1) atom.