NaCBiPO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Bi(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Bi(1), and one P(1) atom.
NaCBiPO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. The Na(1)-O(1) bond length is 2.28 Å. The Na(1)-O(2) bond length is 2.48 Å. The Na(1)-O(3) bond length is 2.41 Å. The Na(1)-O(5) bond length is 2.45 Å. The Na(1)-O(6) bond length is 2.67 Å. The Na(1)-O(7) bond length is 2.58 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.32 Å. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The Bi(1)-O(2) bond length is 2.39 Å. The Bi(1)-O(3) bond length is 2.41 Å. The Bi(1)-O(4) bond length is 2.26 Å. The Bi(1)-O(5) bond length is 2.35 Å. The Bi(1)-O(6) bond length is 2.28 Å. The Bi(1)-O(7) bond length is 2.42 Å. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.58 Å. The P(1)-O(7) bond length is 1.55 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Bi(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Bi(1), and one P(1) atom.