Abstract
The new mineral species paulkellerite, Bi2Fe3+(PO4)O2(OH)2, is monoclinic, C2/c (No. 15), with Z = 4 and has refined cell parameters a = 11.380(3), b = 6.660(3), c = 9.653(3) Å, and β = 115.34(2)°. This unique structure was solved by direct methods, then refined by difference-Fourier synthesis, using 858 observed [>3σ(I)] reflections, to residuals R = 3.4% and Rw = 3.3%. It has a (100) layered structure with sheets of BiO7 polyhedra interspersed with layers of P tetrahedra and Fe3+ octahedra. The P and Fe3+ polyhedra alternate in comer sharing, single chains that parallel the c axis.
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