Structure 1 Phase name BiCuOS R-Bragg 1.140 Spacegroup P4/nmm:2 Scale 0.0011281(13) Cell Mass 637.76(18) Cell Volume (A^3) 128.19755(86) Wt% - Rietveld 100.000 Crystallite Size Cry Size Lorentzian (nm) 503.4(84) Strain Strain L 0.09580(83) Crystal Linear Absorption Coeff. (1/cm) 1440.76(57) Crystal Density (g/cm^3) 8.2608(24) Preferred Orientation Spherical Harmonics Order 8 y00 1 y20 0.0897(27) y40 0.0031(30) y44p -0.0045(17) y60 -0.00582(30) y64p -0.0379(17) y80 0.0056(34) y84p -0.0028(17) y88p -0.0044(23) Lattice parameters a (A) 3.869622(11) c (A) 8.561358(34) Site Np x y z Atom Occ Beq Bi 2 0.25000 0.25000 0.148389(39) Bi+3 0.9995(17) 0.3487(70) Cu 2 0.75000 0.25000 0.50000 Cu+1 0.9964(17) 0.7579 O 2 0.75000 0.25000 0.00000 O-2 0.9136(57) 0.98(12) S 2 0.25000 0.25000 0.66959(23) S 1 0.503(37) #====================================================================== 16 0.0(13) 0.00000 0.00000