BaSrNdMnO6 crystallizes in the orthorhombic P222 space group. There are four inequivalent Ba sites. In the first Ba site, 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 two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(5) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(6) atoms. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. Nd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NdO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and  a faceface with one Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-18°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and  a faceface with one Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-18°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Sr(1), one Nd(1), and one Mn(1) atom. In the second O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(4), one Sr(2), one Nd(1), and one Mn(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(1), one Nd(1), and one Mn(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Sr(2), one Sr(4), one Nd(1), and one Mn(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Sr(3), one Sr(4), one Nd(1), and one Mn(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Sr(3), one Sr(4), one Nd(1), and one Mn(1) atom.
BaSrNdMnO6 crystallizes in the orthorhombic P222 space group. There are four inequivalent Ba sites. In the first Ba site, 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 two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.01 Å. All Ba(1)-O(2) bond lengths are 3.03 Å. All Ba(1)-O(3) bond lengths are 3.02 Å. In the second Ba site, Ba(2) is bonded to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. All Ba(2)-O(4) bond lengths are 3.02 Å. All Ba(2)-O(5) bond lengths are 2.99 Å. All Ba(2)-O(6) bond lengths are 3.00 Å. In the third Ba site, Ba(3) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(5) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nd(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. All Ba(3)-O(1) bond lengths are 3.22 Å. All Ba(3)-O(3) bond lengths are 2.78 Å. All Ba(3)-O(5) bond lengths are 3.04 Å. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(6) atoms. All Ba(4)-O(1) bond lengths are 2.77 Å. All Ba(4)-O(2) bond lengths are 3.31 Å. All Ba(4)-O(6) bond lengths are 3.03 Å. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(5) atoms. All Sr(1)-O(1) bond lengths are 2.99 Å. All Sr(1)-O(5) bond lengths are 2.69 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(6) atoms. All Sr(2)-O(2) bond lengths are 3.00 Å. All Sr(2)-O(6) bond lengths are 2.66 Å. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. All Sr(3)-O(3) bond lengths are 2.99 Å. All Sr(3)-O(4) bond lengths are 2.66 Å. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. All Sr(4)-O(2) bond lengths are 2.69 Å. All Sr(4)-O(3) bond lengths are 3.22 Å. All Sr(4)-O(4) bond lengths are 3.01 Å. Nd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NdO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and  a faceface with one Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-18°. The Nd(1)-O(1) bond length is 2.34 Å. The Nd(1)-O(2) bond length is 2.32 Å. The Nd(1)-O(3) bond length is 2.33 Å. The Nd(1)-O(4) bond length is 2.31 Å. The Nd(1)-O(5) bond length is 2.32 Å. The Nd(1)-O(6) bond length is 2.32 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and  a faceface with one Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-18°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.95 Å. The Mn(1)-O(3) bond length is 1.94 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-O(5) bond length is 1.95 Å. The Mn(1)-O(6) bond length is 1.95 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Sr(1), one Nd(1), and one Mn(1) atom. In the second O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(4), one Sr(2), one Nd(1), and one Mn(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(1), one Nd(1), and one Mn(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Sr(2), one Sr(4), one Nd(1), and one Mn(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Sr(3), one Sr(4), one Nd(1), and one Mn(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Sr(3), one Sr(4), one Nd(1), and one Mn(1) atom.