NaNO3 is Calcite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(4), and one O(9) atom to form distorted corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 62-67°. In the second Na site, Na(2) is bonded to one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. In the third Na site, Na(3) is bonded to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(9) atom to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. In the fourth Na site, Na(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one N(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one N(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one N(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one Na(4), and one N(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Na(2), one Na(3), and one N(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one N(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(2), one Na(3), and one N(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one N(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one N(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Na(1), one Na(4), and one N(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one N(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one N(4) atom.
NaNO3 is Calcite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(4), and one O(9) atom to form distorted corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 62-67°. The Na(1)-O(1) bond length is 2.64 Å. The Na(1)-O(10) bond length is 2.50 Å. The Na(1)-O(11) bond length is 2.48 Å. The Na(1)-O(3) bond length is 2.62 Å. The Na(1)-O(4) bond length is 2.44 Å. The Na(1)-O(9) bond length is 2.46 Å. In the second Na site, Na(2) is bonded to one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. The Na(2)-O(12) bond length is 2.48 Å. The Na(2)-O(2) bond length is 2.79 Å. The Na(2)-O(5) bond length is 2.43 Å. The Na(2)-O(6) bond length is 2.46 Å. The Na(2)-O(7) bond length is 2.47 Å. The Na(2)-O(8) bond length is 2.43 Å. In the third Na site, Na(3) is bonded to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(9) atom to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. The Na(3)-O(1) bond length is 2.32 Å. The Na(3)-O(11) bond length is 2.45 Å. The Na(3)-O(2) bond length is 2.47 Å. The Na(3)-O(5) bond length is 2.46 Å. The Na(3)-O(7) bond length is 2.45 Å. The Na(3)-O(9) bond length is 2.37 Å. In the fourth Na site, Na(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. The Na(4)-O(10) bond length is 2.44 Å. The Na(4)-O(12) bond length is 2.49 Å. The Na(4)-O(3) bond length is 2.39 Å. The Na(4)-O(4) bond length is 2.52 Å. The Na(4)-O(6) bond length is 2.44 Å. The Na(4)-O(8) bond length is 2.45 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The N(1)-O(1) bond length is 1.27 Å. The N(1)-O(2) bond length is 1.26 Å. The N(1)-O(3) bond length is 1.27 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The N(2)-O(4) bond length is 1.27 Å. The N(2)-O(5) bond length is 1.27 Å. The N(2)-O(6) bond length is 1.27 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. The N(3)-O(7) bond length is 1.27 Å. The N(3)-O(8) bond length is 1.27 Å. The N(3)-O(9) bond length is 1.27 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. The N(4)-O(10) bond length is 1.27 Å. The N(4)-O(11) bond length is 1.27 Å. The N(4)-O(12) bond length is 1.27 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one N(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one N(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one N(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one Na(4), and one N(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Na(2), one Na(3), and one N(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one N(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(2), one Na(3), and one N(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one N(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one N(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Na(1), one Na(4), and one N(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one N(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one N(4) atom.