Niter Diffraction data computed using the structure from the paper listed bleow, along with the cell parameters refined from single crystal data of R090001 Nimmo J K, Lucas B W Journal of Physics C: Solid State Physics 6 (1973) 201-211 A neutron diffraction determination of the crystal structure of alpha-phase potassium nitrate at 25 C and 100 C Sample: T = 25 C Locality: Synthetic CELL PARAMETERS: 5.4130 9.1730 6.4300 90.000 90.000 90.000 SPACE GROUP: Pmcn ATOM X Y Z OCCUPANCY ISO(B) K 0.25000 0.41660 0.75680 1.000 2.395 N 0.25000 0.75480 -0.08480 1.000 2.127 O 0.25000 0.89020 -0.08930 1.000 3.180 O 0.44920 0.68660 -0.08490 1.000 3.065 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.052366219 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.04 24.50 4.6618 1 1 0 19.35 11.59 4.5865 0 2 0 23.57 100.00 3.7743 1 1 1 23.83 55.48 3.7339 0 2 1 27.75 1.70 3.2150 0 0 2 29.05 5.70 3.0736 1 2 1 29.44 65.53 3.0340 0 1 2 32.39 33.93 2.7642 1 0 2 32.42 7.56 2.7614 0 3 1 33.10 19.95 2.7065 2 0 0 33.66 36.68 2.6623 1 3 0 33.87 48.56 2.6466 1 1 2 34.06 24.60 2.6326 0 2 2 37.36 8.60 2.4071 2 1 1 38.01 4.57 2.3675 1 2 2 38.63 9.22 2.3309 2 2 0 39.29 2.84 2.2933 0 4 0 40.72 1.60 2.2156 0 3 2 41.19 52.80 2.1914 2 2 1 41.82 25.34 2.1600 0 4 1 43.72 11.79 2.0705 2 0 2 44.17 21.35 2.0505 1 3 2 45.20 2.32 2.0062 1 4 1 46.64 21.81 1.9474 1 1 3 46.78 9.81 1.9418 0 2 3 47.01 7.98 1.9329 2 3 1 48.22 2.96 1.8871 2 2 2 48.78 1.98 1.8670 0 4 2 51.63 1.67 1.7704 3 1 0 51.82 3.80 1.7642 0 5 1 52.29 1.62 1.7496 2 4 0 53.70 3.95 1.7069 3 1 1 54.34 4.07 1.6883 2 4 1 54.72 3.74 1.6774 1 5 1 56.66 4.08 1.6246 3 2 1 58.27 4.13 1.5834 0 1 4 59.49 2.22 1.5539 3 3 0 59.62 1.64 1.5508 3 1 2 60.22 1.75 1.5368 2 4 2 60.56 1.55 1.5288 0 6 0 60.58 1.97 1.5286 1 5 2 60.97 4.92 1.5197 1 1 4 61.09 2.30 1.5170 0 2 4 66.87 4.83 1.3991 3 3 2 67.81 1.64 1.3821 2 0 4 67.89 2.01 1.3807 0 6 2 68.14 3.62 1.3761 1 3 4 68.78 6.33 1.3650 3 1 3 69.33 5.89 1.3554 2 4 3 69.46 2.80 1.3533 4 0 0 69.66 5.84 1.3497 1 5 3 70.78 5.35 1.3311 2 6 0 74.59 2.44 1.2723 4 2 1 75.35 2.34 1.2614 3 5 1 76.20 1.87 1.2494 1 7 1 76.90 1.48 1.2397 1 1 5 84.48 1.54 1.1468 4 4 1 86.42 1.72 1.1260 2 2 5 87.26 1.64 1.1173 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.