SrMo2(PO4)4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. Mo(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom.
SrMo2(PO4)4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. Both Sr(1)-O(1) bond lengths are 2.77 Å. Both Sr(1)-O(3) bond lengths are 2.54 Å. Both Sr(1)-O(4) bond lengths are 2.91 Å. Both Sr(1)-O(7) bond lengths are 2.63 Å. Mo(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. The Mo(1)-O(1) bond length is 2.17 Å. The Mo(1)-O(2) bond length is 2.03 Å. The Mo(1)-O(4) bond length is 2.07 Å. The Mo(1)-O(6) bond length is 2.07 Å. The Mo(1)-O(7) bond length is 1.72 Å. The Mo(1)-O(8) bond length is 2.04 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.60 Å. The P(1)-O(6) bond length is 1.52 Å. The P(1)-O(8) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-54°. The P(2)-O(1) bond length is 1.55 Å. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(3) bond length is 1.49 Å. The P(2)-O(5) bond length is 1.66 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom.