Lueshite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090025 Seidel P, Hoffmann W Zeitschrift fur Kristallographie 143 (1976) 444-459 Verfeinerung der kristallstruktur von NaNbO3 N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes Note T = 84 K CELL PARAMETERS: 7.7970 7.7970 7.7970 90.007 90.007 90.007 SPACE GROUP: R3c ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.00000 1.000 0.332 Na 0.50000 0.50000 0.00000 1.000 0.332 Nb 0.25800 0.25800 0.25800 1.000 0.292 Nb 0.75800 0.75800 0.25800 1.000 0.292 O 0.24300 0.52500 0.30900 1.000 0.263 O 0.24300 0.02500 0.80900 1.000 0.263 O 0.74300 0.52500 0.80900 1.000 0.263 O 0.74300 0.02500 0.30900 1.000 0.263 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 99.88292722 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 22.81 85.83 3.8985 2 0 0 32.48 46.71 2.7568 0 -2 2 32.48 53.29 2.7565 2 2 0 38.29 3.70 2.3509 3 -1 1 40.06 3.08 2.2509 2 -2 2 40.06 1.42 2.2505 2 2 2 46.59 37.43 1.9492 4 0 0 52.48 14.27 1.7435 0 -2 4 52.49 17.16 1.7434 4 2 0 57.94 12.50 1.5917 2 -4 2 57.94 20.42 1.5916 4 -2 2 57.95 10.12 1.5914 4 2 2 68.01 8.78 1.3784 0 -4 4 68.02 9.01 1.3782 4 4 0 72.77 6.41 1.2996 4 -4 2 72.77 2.03 1.2995 4 -2 4 72.77 2.01 1.2995 6 0 0 72.78 2.76 1.2994 4 4 2 77.41 7.05 1.2329 0 -2 6 77.42 8.30 1.2328 6 2 0 81.96 1.23 1.1755 -2 -2 6 81.97 2.36 1.1755 6 -2 2 81.98 1.27 1.1754 6 2 2 86.47 3.89 1.1254 4 -4 4 86.49 1.26 1.1253 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.