SrCaV4O12 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded to four equivalent O(1); four equivalent O(2); and four O(3,3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. Ca(1) is bonded to four equivalent O(1); four equivalent O(2); and four O(4,4) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Ca(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Ca(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent V(1) atoms. In the fifth O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent V(1) atoms. In the sixth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent V(1) atoms.
SrCaV4O12 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded to four equivalent O(1); four equivalent O(2); and four O(3,3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.60 Å. All Sr(1)-O(2) bond lengths are 2.75 Å. All Sr(1)-O(3,3) bond lengths are 2.66 Å. Ca(1) is bonded to four equivalent O(1); four equivalent O(2); and four O(4,4) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. All Ca(1)-O(1) bond lengths are 2.73 Å. All Ca(1)-O(2) bond lengths are 2.59 Å. All Ca(1)-O(4,4) bond lengths are 2.66 Å. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. The V(1)-O(3) bond length is 1.89 Å. The V(1)-O(4) bond length is 1.88 Å. Both V(1)-O(1) bond lengths are 1.88 Å. Both V(1)-O(2) bond lengths are 1.89 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Ca(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Ca(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent V(1) atoms. In the fifth O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent V(1) atoms. Both O(3)-V(1) bond lengths are 1.89 Å. In the sixth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent V(1) atoms. Both O(4)-V(1) bond lengths are 1.88 Å.