TY - JOUR
T1 - The crystal structure of Ca7Zr7Ta6O36 refined using synchrotron-radiation data
AU - Schmid, Siegbert
AU - Thompson, John G.
AU - Withers, Ray L.
AU - Ling, Christopher D.
AU - Ishizawa, Nobuo
AU - Kishimoto, Shunji
PY - 1999/6/1
Y1 - 1999/6/1
N2 - Single-crystal X-ray diffraction data [synchrotron radiation; λ = 1.2682 (4) Å] are used to solve and refine the crystal structure of heptacalcium hexatantalum heptazirconium hexatriacontaoxide, Ca7Zr7Ta6O36. The structure adopts space group Fddd with cell dimensions a = 36.394 (1), b = 7.3674 (5), c = 31.006 (2) Å. The structure was solved by direct methods. 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 confirm the plausibility of the crystal chemistry of Ca7Zr7Ta6O36.
AB - Single-crystal X-ray diffraction data [synchrotron radiation; λ = 1.2682 (4) Å] are used to solve and refine the crystal structure of heptacalcium hexatantalum heptazirconium hexatriacontaoxide, Ca7Zr7Ta6O36. The structure adopts space group Fddd with cell dimensions a = 36.394 (1), b = 7.3674 (5), c = 31.006 (2) Å. The structure was solved by direct methods. 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 confirm the plausibility of the crystal chemistry of Ca7Zr7Ta6O36.
UR - http://www.scopus.com/inward/record.url?scp=0043229364&partnerID=8YFLogxK
U2 - 10.1107/S0108768198014268
DO - 10.1107/S0108768198014268
M3 - Article
SN - 0108-7681
VL - 55
SP - 313
EP - 320
JO - Acta Crystallographica Section B: Structural Science
JF - Acta Crystallographica Section B: Structural Science
IS - 3
ER -