Single-crystal X-ray diffraction data [synchrotron radiation; lambda = 1.26
82 (4) Angstrom] are used to solve and refine the crystal structure of hept
acalcium hexatantalum hepta-zirconium hexatriacontaoxide, Ca7Zr7Ta6O36. The
structure adopts space group Fddd with cell dimensions a = 36.394 (1), b =
7.3674 (5), c = 31.006 (2) Angstrom. The structure was solved by direct me
thods. Refinement using 1299 unique reflections leads to final values of R
= 0.031 and wR = 0.034. The refined metal-atom ordering scheme is far from
fully ordered and reminiscent of the A/B metal-atom ordering characteristic
of the pyrochlore structure type. Bond-valence sums are calculated to conf
irm the plausibility of the crystal chemistry of Ca7Zr7Ta6O36.