NaLiMgPO4F crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), three equivalent O(1), and two equivalent F(1) atoms. Li(1) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-81°. Mg(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with four equivalent Li(1)O3F tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O4F2 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent Li(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Li(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one P(1) atom. In the third O site, O(3) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. In the fourth O site, O(4) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. F(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(1), and two equivalent Mg(1) atoms.
NaLiMgPO4F crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), three equivalent O(1), and two equivalent F(1) atoms. The Na(1)-O(3) bond length is 2.58 Å. The Na(1)-O(4) bond length is 2.41 Å. There are a spread of Na(1)-O(1) bond distances ranging from 2.42-2.64 Å. There is one shorter (2.52 Å) and one longer (2.67 Å) Na(1)-F(1) bond length. Li(1) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-81°. The Li(1)-O(1) bond length is 2.01 Å. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-O(4) bond length is 2.00 Å. The Li(1)-F(1) bond length is 1.94 Å. Mg(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with four equivalent Li(1)O3F tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The Mg(1)-O(3) bond length is 2.08 Å. The Mg(1)-O(4) bond length is 2.07 Å. There is one shorter (2.07 Å) and one longer (2.10 Å) Mg(1)-O(2) bond length. There is one shorter (2.02 Å) and one longer (2.08 Å) Mg(1)-F(1) bond length. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent Li(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Li(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one P(1) atom. In the third O site, O(3) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. In the fourth O site, O(4) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. F(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(1), and two equivalent Mg(1) atoms.