Ba10Nd4Y(MoO6)5 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(13), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded to one O(1), one O(13), one O(14), one O(4), one O(8), one O(9), two equivalent O(10), two equivalent O(15), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Y(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Nd(1)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to one O(11), one O(5), one O(6), three equivalent O(12), three equivalent O(3), and three equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Mo(3)O6 octahedra, and faces with four equivalent Nd(2)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to one O(10), one O(15), one O(2), three equivalent O(14), three equivalent O(4), and three equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra, faces with three equivalent Y(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to one O(1), one O(12), one O(13), one O(3), one O(7), one O(8), two equivalent O(11), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra,  a faceface with one Mo(3)O6 octahedra, faces with three equivalent Nd(2)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(2), and one O(8) atom to form NdO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the second Nd site, Nd(2) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(7) atom to form NdO6 octahedra that share corners with three equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. Y(1) is bonded to two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms to form YO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(14), one O(15), one O(2), one O(4), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Y(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Nd(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the third Mo site, Mo(3) is bonded to two equivalent O(12), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with six equivalent Nd(2)O6 octahedra, faces with two equivalent Ba(5)O12 cuboctahedra, and faces with six equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(2)Ba4NdMo octahedra,  a cornercorner with one O(3)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra,  a cornercorner with one O(4)Ba4YMo octahedra, corners with two equivalent O(1)Ba4NdMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(5)Ba4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with two equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(1)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom to form distorted OBa4YMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with three equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom.
Ba10Nd4Y(MoO6)5 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(13), and two equivalent O(8) atoms. The Ba(1)-O(10) bond length is 2.89 Å. The Ba(1)-O(11) bond length is 2.89 Å. The Ba(1)-O(15) bond length is 3.32 Å. The Ba(1)-O(2) bond length is 3.04 Å. The Ba(1)-O(5) bond length is 3.04 Å. The Ba(1)-O(6) bond length is 3.34 Å. There is one shorter (3.03 Å) and one longer (3.04 Å) Ba(1)-O(1) bond length. There is one shorter (2.89 Å) and one longer (3.26 Å) Ba(1)-O(13) bond length. There is one shorter (2.80 Å) and one longer (3.33 Å) Ba(1)-O(8) bond length. In the second Ba site, Ba(2) is bonded to one O(1), one O(13), one O(14), one O(4), one O(8), one O(9), two equivalent O(10), two equivalent O(15), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Y(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Nd(1)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. The Ba(2)-O(1) bond length is 3.08 Å. The Ba(2)-O(13) bond length is 3.32 Å. The Ba(2)-O(14) bond length is 2.84 Å. The Ba(2)-O(4) bond length is 3.00 Å. The Ba(2)-O(8) bond length is 2.87 Å. The Ba(2)-O(9) bond length is 3.21 Å. There is one shorter (2.88 Å) and one longer (3.25 Å) Ba(2)-O(10) bond length. There is one shorter (2.83 Å) and one longer (3.31 Å) Ba(2)-O(15) bond length. There is one shorter (3.03 Å) and one longer (3.04 Å) Ba(2)-O(2) bond length. In the third Ba site, Ba(3) is bonded to one O(11), one O(5), one O(6), three equivalent O(12), three equivalent O(3), and three equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Mo(3)O6 octahedra, and faces with four equivalent Nd(2)O6 octahedra. The Ba(3)-O(11) bond length is 3.29 Å. The Ba(3)-O(5) bond length is 3.03 Å. The Ba(3)-O(6) bond length is 2.82 Å. There are a spread of Ba(3)-O(12) bond distances ranging from 2.83-3.30 Å. There are two shorter (3.03 Å) and one longer (3.04 Å) Ba(3)-O(3) bond length. There are a spread of Ba(3)-O(7) bond distances ranging from 2.84-3.33 Å. In the fourth Ba site, Ba(4) is bonded to one O(10), one O(15), one O(2), three equivalent O(14), three equivalent O(4), and three equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra, faces with three equivalent Y(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. The Ba(4)-O(10) bond length is 3.25 Å. The Ba(4)-O(15) bond length is 2.84 Å. The Ba(4)-O(2) bond length is 3.04 Å. There are a spread of Ba(4)-O(14) bond distances ranging from 2.86-3.28 Å. There are a spread of Ba(4)-O(4) bond distances ranging from 2.96-3.04 Å. There are a spread of Ba(4)-O(9) bond distances ranging from 2.84-3.22 Å. In the fifth Ba site, Ba(5) is bonded to one O(1), one O(12), one O(13), one O(3), one O(7), one O(8), two equivalent O(11), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra,  a faceface with one Mo(3)O6 octahedra, faces with three equivalent Nd(2)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. The Ba(5)-O(1) bond length is 3.02 Å. The Ba(5)-O(12) bond length is 3.29 Å. The Ba(5)-O(13) bond length is 2.89 Å. The Ba(5)-O(3) bond length is 3.03 Å. The Ba(5)-O(7) bond length is 2.83 Å. The Ba(5)-O(8) bond length is 3.32 Å. There is one shorter (2.88 Å) and one longer (3.26 Å) Ba(5)-O(11) bond length. There is one shorter (3.03 Å) and one longer (3.04 Å) Ba(5)-O(5) bond length. There is one shorter (2.81 Å) and one longer (3.33 Å) Ba(5)-O(6) bond length. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(2), and one O(8) atom to form NdO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-18°. The Nd(1)-O(1) bond length is 2.33 Å. The Nd(1)-O(10) bond length is 2.35 Å. The Nd(1)-O(13) bond length is 2.37 Å. The Nd(1)-O(15) bond length is 2.35 Å. The Nd(1)-O(2) bond length is 2.34 Å. The Nd(1)-O(8) bond length is 2.32 Å. In the second Nd site, Nd(2) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(7) atom to form NdO6 octahedra that share corners with three equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. The Nd(2)-O(11) bond length is 2.37 Å. The Nd(2)-O(12) bond length is 2.29 Å. The Nd(2)-O(3) bond length is 2.32 Å. The Nd(2)-O(5) bond length is 2.33 Å. The Nd(2)-O(6) bond length is 2.31 Å. The Nd(2)-O(7) bond length is 2.39 Å. Y(1) is bonded to two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms to form YO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. Both Y(1)-O(14) bond lengths are 2.29 Å. Both Y(1)-O(4) bond lengths are 2.27 Å. Both Y(1)-O(9) bond lengths are 2.27 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(14), one O(15), one O(2), one O(4), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Y(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. The Mo(1)-O(10) bond length is 1.99 Å. The Mo(1)-O(14) bond length is 2.00 Å. The Mo(1)-O(15) bond length is 1.99 Å. The Mo(1)-O(2) bond length is 2.04 Å. The Mo(1)-O(4) bond length is 2.07 Å. The Mo(1)-O(9) bond length is 2.01 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Nd(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. The Mo(2)-O(1) bond length is 2.05 Å. The Mo(2)-O(11) bond length is 1.97 Å. The Mo(2)-O(13) bond length is 1.97 Å. The Mo(2)-O(5) bond length is 2.04 Å. The Mo(2)-O(6) bond length is 2.03 Å. The Mo(2)-O(8) bond length is 2.03 Å. In the third Mo site, Mo(3) is bonded to two equivalent O(12), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with six equivalent Nd(2)O6 octahedra, faces with two equivalent Ba(5)O12 cuboctahedra, and faces with six equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. Both Mo(3)-O(12) bond lengths are 2.03 Å. Both Mo(3)-O(3) bond lengths are 2.04 Å. Both Mo(3)-O(7) bond lengths are 1.96 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(2)Ba4NdMo octahedra,  a cornercorner with one O(3)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra,  a cornercorner with one O(4)Ba4YMo octahedra, corners with two equivalent O(1)Ba4NdMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(5)Ba4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with two equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(1)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom to form distorted OBa4YMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with three equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom.