Mg2(PO4)OH crystallizes in the trigonal P31m space group. The structure consists of one dtxsid60896926 molecule inside a Mg12P5H3O29 framework. In the Mg12P5H3O29 framework, there are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-71°. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one O(7)Mg4O trigonal bipyramid, edges with two equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(6) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-70°. In the second P site, P(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. H(1) is bonded in a single-bond geometry to one O(8) atom. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mg(2) and one P(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one P(2) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one P(2) atom. In the fourth O site, O(6) is bonded to three equivalent Mg(1) and one P(1) atom to form corner-sharing OMg3P tetrahedra. In the fifth O site, O(7) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one O(1) atom to form distorted OMg4O trigonal bipyramids that share corners with two equivalent Mg(2)O6 octahedra and corners with two equivalent O(6)Mg3P tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the sixth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Mg(1), two equivalent Mg(2), and one H(1) atom. In the seventh O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(2) and one O(7) atom. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one P(1) atom.
Mg2(PO4)OH crystallizes in the trigonal P31m space group. The structure consists of one dtxsid60896926 molecule inside a Mg12P5H3O29 framework. In the Mg12P5H3O29 framework, there are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-71°. The Mg(1)-O(2) bond length is 2.04 Å. The Mg(1)-O(4) bond length is 2.17 Å. The Mg(1)-O(5) bond length is 2.09 Å. The Mg(1)-O(6) bond length is 2.29 Å. The Mg(1)-O(7) bond length is 2.21 Å. The Mg(1)-O(8) bond length is 2.14 Å. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one O(7)Mg4O trigonal bipyramid, edges with two equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. The Mg(2)-O(1) bond length is 2.14 Å. The Mg(2)-O(2) bond length is 2.13 Å. The Mg(2)-O(3) bond length is 2.06 Å. The Mg(2)-O(4) bond length is 2.03 Å. The Mg(2)-O(7) bond length is 2.40 Å. The Mg(2)-O(8) bond length is 2.34 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(6) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-70°. The P(1)-O(6) bond length is 1.57 Å. All P(1)-O(2) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. The P(2)-O(3) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.56 Å. Both P(2)-O(4) bond lengths are 1.55 Å. H(1) is bonded in a single-bond geometry to one O(8) atom. The H(1)-O(8) bond length is 0.98 Å. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mg(2) and one P(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one P(2) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one P(2) atom. In the fourth O site, O(6) is bonded to three equivalent Mg(1) and one P(1) atom to form corner-sharing OMg3P tetrahedra. In the fifth O site, O(7) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one O(1) atom to form distorted OMg4O trigonal bipyramids that share corners with two equivalent Mg(2)O6 octahedra and corners with two equivalent O(6)Mg3P tetrahedra. The corner-sharing octahedral tilt angles are 64°. The O(7)-O(1) bond length is 1.55 Å. In the sixth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Mg(1), two equivalent Mg(2), and one H(1) atom. In the seventh O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(2) and one O(7) atom. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one P(1) atom.