title: Structure of sodium perbromate monohydrate.
abstract: NaBrO4.H2O, Mr = 184.90, monoclinic, C2/c, a = 15.7575 (19), b = 5.7373 (15), c = 11.3390 (19) A, beta = 111.193 (10)degrees, V = 955.8 (3) A3, Z = 8, Dx = 2.570 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 85.2 cm-1, F(000) = 704, T = 296 K, R = 0.039 for 1137 unique reflections having I greater than sigma I. In this structure, there are two inequivalent Na ions, each coordinated by six O atoms. In each of the two types of distorted octahedra, there are three inequivalent Na--O distances; the average Na(1)--O and Na(2)--O distances are 2.379 (10) and 2.405 (23) A, respectively. The perbromate ion in this structure displays very nearly regular tetrahedral geometry, although it is subject to no symmetry constraints; the average observed Br--O distance is 1.601 (4) A, while the average observed O--Br--O angle is 109.5 (9)degrees. These values agree well with previously reported values. The perbromate ion, but neither of the sodium coordination polyhedra, shows rigid-body behavior. The average rigid-body corrected Br--O distance in the perbromate ion is 1.624 (3) A. Refinement of the two inequivalent H atoms permitted detailed analysis of the hydrogen bonding, which is slightly different from that reported for the isomorphic sodium perchlorate monohydrate. Dynamic disordering of the H atoms as detailed by magnetic resonance methods for sodium perchlorate monohydrate is not clearly indicated in our X-ray study of sodium perbromate monohydrate.
authors.affiliation: Department of Chemistry, Ohio State University, Columbus 43210.
authors.forename: A C
authors.initials: AC
authors.lastname: Blackburn
authors.forename: J C
authors.initials: JC
authors.lastname: Gallucci
authors.forename: R E
authors.initials: RE
authors.lastname: Gerkin
authors.forename: W J
authors.initials: WJ
authors.lastname: Reppart
mesh_terms: D001959:Bromates / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D015394:Molecular Structure; D012964:Sodium / Q000737:chemistry*; D017670:Sodium Compounds; D014961:X-Ray Diffraction
chemical_list: D001959:Bromates; D017670:Sodium Compounds; C075323:sodium perbromate; D012964:Sodium