Abstract
The crystal structure of the orthorhombic copper salt Cu2(OH)3NO3 (natural gerhardtite) has been determined from X-ray diffractometer data by means of three-dimensional Patterson and Fourier syntheses, and refined by difference Fourier syntheses and least-squares methods to a finalR index of 0.097 for 532 reflections. Crystals of Cu2(OH)3NO3 are orthorhombic:a=6.087(2),b=13.813(4),c=5.597(2) A,Z=4, space groupP212121. The Cu atoms form deformed hexagonal pseudocells (010). Each Cu(1) ion is surrounded by an approximately square planar arrangement of four OH ions at 1.929, 1.952, 1.993 and 1.998 A and by two O (of NO3 ions) at 2.359 and 2.480 A, completing a deformed coordination octahedron; each Cu(2) ion is similarly coordinated by four OH at 1.989, 1.997, 2.009 and 2.018 A, one OH at 2.309 A, and one O at 2.384 A. The structure involves layers of such deformed octahedra, of theC6-type, linked together by hydrogen bonds through the NO3 ions. Similarities to and differences from the structure of the monoclinic polymorphous form are discussed.
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