NaBrO3 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(8), one Br(1), and one Br(2) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(5), one O(7), one O(9), one Br(2), one Br(3), and one Br(4) atom. In the third Na site, Na(3) is bonded in a distorted trigonal bipyramidal geometry to one O(5), one O(6), one O(9), one Br(1), and one Br(2) atom. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one Br(1), one Br(3), and one Br(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(4) and one O(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(4) and one O(12) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Na(4), and one Br(3) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Na(1), one Na(4), and one O(11) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(2), one Na(3), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(3), one O(10), and one O(8) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Na(2), one Na(4), and one O(11) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one O(10), and one O(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Na(2), one Na(3), and one Br(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one O(6), and one O(8) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(2), one O(4), and one O(7) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Na(1) and one O(2) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one Na(4) atom. In the second Br site, Br(2) is bonded in a trigonal planar geometry to one Na(1), one Na(2), and one Na(3) atom. In the third Br site, Br(3) is bonded in a 1-coordinate geometry to one Na(2), one Na(4), and one O(3) atom. In the fourth Br site, Br(4) is bonded in a 2-coordinate geometry to one Na(2), one Na(4), and one O(9) atom.
NaBrO3 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(8), one Br(1), and one Br(2) atom. The Na(1)-O(12) bond length is 2.85 Å. The Na(1)-O(3) bond length is 2.44 Å. The Na(1)-O(4) bond length is 2.44 Å. The Na(1)-O(8) bond length is 2.96 Å. The Na(1)-Br(1) bond length is 3.04 Å. The Na(1)-Br(2) bond length is 2.93 Å. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(5), one O(7), one O(9), one Br(2), one Br(3), and one Br(4) atom. The Na(2)-O(10) bond length is 2.61 Å. The Na(2)-O(11) bond length is 2.85 Å. The Na(2)-O(5) bond length is 2.85 Å. The Na(2)-O(7) bond length is 2.42 Å. The Na(2)-O(9) bond length is 2.34 Å. The Na(2)-Br(2) bond length is 2.83 Å. The Na(2)-Br(3) bond length is 3.19 Å. The Na(2)-Br(4) bond length is 3.22 Å. In the third Na site, Na(3) is bonded in a distorted trigonal bipyramidal geometry to one O(5), one O(6), one O(9), one Br(1), and one Br(2) atom. The Na(3)-O(5) bond length is 2.66 Å. The Na(3)-O(6) bond length is 2.53 Å. The Na(3)-O(9) bond length is 2.73 Å. The Na(3)-Br(1) bond length is 3.03 Å. The Na(3)-Br(2) bond length is 2.86 Å. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one Br(1), one Br(3), and one Br(4) atom. The Na(4)-O(1) bond length is 3.10 Å. The Na(4)-O(2) bond length is 2.96 Å. The Na(4)-O(3) bond length is 2.36 Å. The Na(4)-O(4) bond length is 2.49 Å. The Na(4)-O(7) bond length is 2.47 Å. The Na(4)-Br(1) bond length is 2.99 Å. The Na(4)-Br(3) bond length is 3.04 Å. The Na(4)-Br(4) bond length is 3.13 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(4) and one O(5) atom. The O(1)-O(5) bond length is 1.24 Å. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(4) and one O(12) atom. The O(2)-O(12) bond length is 1.24 Å. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Na(4), and one Br(3) atom. The O(3)-Br(3) bond length is 1.80 Å. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Na(1), one Na(4), and one O(11) atom. The O(4)-O(11) bond length is 1.33 Å. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(2), one Na(3), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(3), one O(10), and one O(8) atom. The O(6)-O(10) bond length is 1.45 Å. The O(6)-O(8) bond length is 1.56 Å. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Na(2), one Na(4), and one O(11) atom. The O(7)-O(11) bond length is 1.34 Å. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one O(10), and one O(6) atom. The O(8)-O(10) bond length is 1.45 Å. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Na(2), one Na(3), and one Br(4) atom. The O(9)-Br(4) bond length is 1.80 Å. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one O(6), and one O(8) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(2), one O(4), and one O(7) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Na(1) and one O(2) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one Na(4) atom. In the second Br site, Br(2) is bonded in a trigonal planar geometry to one Na(1), one Na(2), and one Na(3) atom. In the third Br site, Br(3) is bonded in a 1-coordinate geometry to one Na(2), one Na(4), and one O(3) atom. In the fourth Br site, Br(4) is bonded in a 2-coordinate geometry to one Na(2), one Na(4), and one O(9) atom.