Hazenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100029 Yang H, Sun H J Journal of Solid State Chemistry 177 (2004) 2991-2997 Crystal structure of a new phosphate compound, Mg2KNa(PO4)2*14H2O Locality: synthetic CELL PARAMETERS: 25.1740 6.9349 11.2195 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) K 0.22140 0.75000 0.50220 1.000 3.166 Na 0.00030 0.75000 0.92600 1.000 2.716 Mg 0.95420 0.75000 0.63870 1.000 1.184 Mg 0.22360 0.75000 0.83680 1.000 1.303 P 0.12810 0.25000 0.72220 1.000 1.169 P 0.12730 0.75000 0.22050 1.000 1.137 O 0.13600 0.25000 0.85840 1.000 1.982 O 0.18290 0.25000 0.66100 1.000 1.966 O 0.09740 0.43190 0.68590 1.000 1.816 O 0.06760 0.75000 0.19480 1.000 2.124 O 0.13820 0.75000 0.35490 1.000 1.863 O 0.15210 0.93130 0.16360 1.000 1.800 Ow 0.00960 0.75000 0.50650 1.000 2.495 Ow 0.89400 0.75000 0.76110 1.000 2.977 Ow 0.91600 0.53480 0.54430 1.000 2.100 Ow 0.99470 0.95820 0.73740 1.000 2.045 Ow 0.24940 0.53580 0.72320 1.000 2.432 Ow 0.19660 0.96640 0.94920 1.000 2.163 Ow 0.15510 0.75000 0.73110 1.000 2.495 Ow 0.29730 0.75000 0.92590 1.000 3.229 Ow 0.05970 0.00980 0.98260 1.000 2.811 H 0.03000 0.83700 0.48500 1.000 3.158 H 0.88000 0.85400 0.79200 1.000 3.158 H 0.89300 0.44800 0.57500 1.000 3.158 H 0.90600 0.55000 0.46500 1.000 3.158 H 0.97400 0.05400 0.75700 1.000 3.158 H 0.02900 0.99800 0.72800 1.000 3.158 H 0.22800 0.43700 0.70800 1.000 3.158 H 0.28100 0.49400 0.71400 1.000 3.158 H 0.17900 0.93800 0.02000 1.000 3.158 H 0.17800 0.05300 0.92000 1.000 3.158 H 0.13400 0.84900 0.72100 1.000 3.158 H 0.32400 0.75000 0.90000 1.000 3.158 H 0.30300 0.75000 0.01200 1.000 3.158 H 0.08200 0.06700 0.94500 1.000 3.158 H 0.07800 0.95700 0.03600 1.000 3.158 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 23 +/- 6 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 5.356891411 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.63 2.51 10.2478 1 0 1 10.56 1.25 8.3753 2 0 1 14.07 1.30 6.2935 4 0 0 15.02 5.56 5.8990 0 1 1 15.43 1.73 5.7434 1 1 1 15.80 13.98 5.6097 0 0 2 16.15 16.81 5.4889 4 0 1 18.38 5.04 4.8259 3 1 1 19.03 1.32 4.6636 3 0 2 19.04 12.81 4.6605 4 1 0 20.64 100.00 4.3039 4 1 1 20.67 1.33 4.2974 1 1 2 21.22 25.82 4.1876 4 0 2 23.75 6.47 3.7470 5 0 2 24.80 1.58 3.5898 6 1 0 25.69 6.55 3.4674 0 2 0 26.02 2.01 3.4247 7 0 1 26.09 2.20 3.4159 3 0 3 26.67 2.22 3.3429 2 2 0 27.05 2.09 3.2966 5 1 2 27.09 5.65 3.2917 0 1 3 27.15 3.37 3.2845 1 2 1 27.32 21.11 3.2639 1 1 3 28.02 1.50 3.1846 2 1 3 28.36 4.47 3.1467 8 0 0 28.98 6.99 3.0814 3 2 1 29.08 2.10 3.0706 7 1 1 29.41 1.71 3.0370 4 2 0 29.48 3.40 3.0298 8 0 1 29.50 2.02 3.0276 7 0 2 29.54 1.02 3.0237 6 1 2 30.30 2.92 2.9495 0 2 2 30.49 12.68 2.9315 4 2 1 30.52 2.38 2.9294 1 2 2 31.91 10.03 2.8049 0 0 4 32.11 20.48 2.7876 1 0 4 32.24 1.79 2.7764 8 1 1 32.35 16.99 2.7675 5 2 1 32.50 7.76 2.7551 5 1 3 32.63 25.48 2.7445 8 0 2 33.00 3.18 2.7140 9 0 1 33.53 4.16 2.6728 6 2 0 33.55 57.44 2.6707 4 2 2 33.69 5.12 2.6602 3 0 4 35.02 1.24 2.5620 4 0 4 35.17 2.17 2.5519 8 1 2 35.48 1.81 2.5298 1 2 3 35.52 2.82 2.5274 9 1 1 36.17 3.12 2.4837 3 1 4 36.89 3.62 2.4366 7 2 1 37.26 2.14 2.4129 6 2 2 38.03 1.64 2.3663 10 1 0 38.17 3.33 2.3576 4 2 3 38.22 5.47 2.3545 9 1 2 38.61 1.20 2.3318 6 0 4 38.64 4.15 2.3302 8 2 0 39.23 2.69 2.2967 10 0 2 39.50 1.46 2.2815 8 2 1 39.71 1.71 2.2697 5 2 3 39.98 1.64 2.2550 1 3 1 40.26 2.76 2.2399 9 0 3 40.83 3.79 2.2102 6 1 4 41.41 2.26 2.1803 10 1 2 41.53 2.91 2.1745 6 2 3 41.57 2.32 2.1726 1 2 4 41.98 5.65 2.1520 8 2 2 42.05 1.62 2.1487 2 2 4 42.29 1.45 2.1372 9 2 1 42.34 1.09 2.1349 0 1 5 42.92 2.57 2.1072 7 1 4 43.21 1.75 2.0938 8 0 4 43.59 5.92 2.0762 7 2 3 43.75 3.40 2.0690 3 1 5 43.94 4.38 2.0605 4 2 4 44.65 3.25 2.0296 9 2 2 44.72 1.21 2.0265 11 1 2 45.15 3.57 2.0080 12 1 0 45.32 2.43 2.0011 5 2 4 45.88 1.46 1.9777 8 2 3 45.91 1.22 1.9766 12 1 1 46.17 1.67 1.9663 0 3 3 46.19 1.88 1.9655 5 1 5 46.31 2.10 1.9604 1 3 3 47.48 1.23 1.9148 10 2 2 47.49 1.57 1.9145 3 3 3 47.80 1.79 1.9028 6 1 5 48.13 1.02 1.8905 12 1 2 48.34 2.15 1.8829 11 2 1 48.38 4.70 1.8815 9 2 3 48.50 1.29 1.8769 4 3 3 48.84 1.10 1.8648 1 0 6 48.89 2.38 1.8630 8 3 0 49.60 1.89 1.8378 8 3 1 49.62 1.09 1.8373 7 3 2 49.78 4.38 1.8316 5 3 3 49.82 1.04 1.8305 13 0 2 49.92 2.44 1.8270 8 0 5 50.58 3.53 1.8047 4 2 5 50.77 1.31 1.7981 14 0 0 50.87 5.09 1.7949 12 2 0 50.95 1.41 1.7924 8 2 4 51.67 1.20 1.7691 12 1 3 51.82 1.15 1.7644 5 2 5 52.27 1.94 1.7503 9 0 5 52.44 1.93 1.7449 3 3 4 52.58 1.08 1.7406 14 1 0 52.80 10.65 1.7337 0 4 0 53.27 2.36 1.7196 13 0 3 53.61 3.02 1.7095 12 2 2 54.58 1.97 1.6815 5 3 4 55.07 1.75 1.6675 8 3 3 55.59 1.58 1.6532 4 4 1 55.99 2.02 1.6423 1 2 6 57.02 3.29 1.6151 3 2 6 57.54 1.75 1.6019 4 4 2 57.91 3.42 1.5923 4 2 6 58.39 1.04 1.5804 14 2 1 59.46 1.94 1.5545 9 0 6 60.94 1.32 1.5202 16 1 1 62.02 1.48 1.4963 12 1 5 63.47 1.55 1.4658 8 4 2 64.12 1.80 1.4525 1 2 7 64.99 1.17 1.4350 13 3 2 65.80 1.02 1.4193 14 3 0 68.43 1.50 1.3710 9 4 3 69.96 3.37 1.3447 4 5 1 71.48 1.67 1.3198 8 3 6 73.26 3.04 1.2920 16 3 1 75.86 1.08 1.2541 13 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.