Junitoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120100 Yang H, Jenkins N G, Downs R T Acta Crystallographica E68 (2012) i73-i73 Redetermination of junitoite, CaZn2Si2O7*H2O Locality: Christmas Mine, Gila County, Arizona, USA _database_code_amcsd 0019356 CELL PARAMETERS: 12.5300 6.3060 8.5620 90.000 90.000 90.000 SPACE GROUP: Aba2 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.50000 0.51882 1.000 0.710 Zn 0.25216 0.24453 0.13494 1.000 0.638 Si 0.11827 0.00274 0.39406 1.000 0.486 O 0.12311 0.29919 0.01003 1.000 0.849 O 0.12739 0.21991 0.49272 1.000 0.782 O 0.20596 -0.00482 0.25347 1.000 0.795 O 0.00000 0.00000 0.30367 1.000 0.647 O 0.00000 0.50000 0.25181 1.000 1.649 H 0.03502 0.44843 0.20019 1.000 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 5 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 17.67252312 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.14 56.28 6.2650 2 0 0 18.86 27.56 4.7058 1 1 1 20.75 28.27 4.2810 0 0 2 25.20 100.00 3.5346 2 0 2 27.66 52.37 3.2256 3 1 1 28.30 1.37 3.1530 0 2 0 28.49 18.26 3.1325 4 0 0 31.77 86.98 2.8164 2 2 0 35.25 21.82 2.5459 1 1 3 35.36 69.63 2.5387 0 2 2 35.51 79.02 2.5280 4 0 2 38.25 51.74 2.3529 2 2 2 40.13 16.12 2.2472 5 1 1 40.60 3.44 2.2222 4 2 0 40.88 5.41 2.2073 3 1 3 42.22 1.13 2.1405 0 0 4 43.33 3.01 2.0883 6 0 0 44.74 25.22 2.0255 2 0 4 44.99 3.99 2.0148 1 3 1 46.02 15.97 1.9723 4 2 2 48.50 10.82 1.8769 6 0 2 49.71 3.31 1.8340 3 3 1 50.59 4.92 1.8044 5 1 3 51.61 8.41 1.7710 0 2 4 51.72 3.41 1.7673 4 0 4 52.56 19.06 1.7411 6 2 0 53.79 11.70 1.7042 2 2 4 54.73 9.79 1.6773 1 3 3 56.14 2.02 1.6384 1 1 5 57.11 17.94 1.6128 6 2 2 58.30 1.56 1.5827 5 3 1 58.55 17.38 1.5765 0 4 0 58.97 14.77 1.5662 8 0 0 60.01 60.09 1.5416 4 2 4 60.56 2.64 1.5288 2 4 0 62.09 12.90 1.4948 6 0 4 62.81 1.86 1.4794 0 4 2 63.05 3.62 1.4744 7 1 3 63.22 3.67 1.4709 8 0 2 64.75 11.25 1.4398 2 4 2 65.40 1.08 1.4270 0 0 6 66.38 3.77 1.4082 4 4 0 66.68 1.43 1.4027 8 2 0 66.69 1.19 1.4026 5 3 3 67.29 4.94 1.3914 2 0 6 67.95 1.00 1.3796 5 1 5 69.61 2.02 1.3507 6 2 4 70.08 1.16 1.3427 9 1 1 70.38 14.90 1.3377 4 4 2 70.67 13.31 1.3330 8 2 2 71.45 2.46 1.3202 1 3 5 72.74 8.31 1.3001 0 2 6 72.83 4.93 1.2986 4 0 6 74.55 6.24 1.2729 2 2 6 74.79 1.40 1.2694 0 4 4 75.16 1.78 1.2640 8 0 4 75.57 1.15 1.2582 6 4 0 76.58 7.80 1.2441 2 4 4 77.64 2.73 1.2298 7 3 3 77.82 1.69 1.2274 9 1 3 79.38 3.87 1.2072 6 4 2 79.74 3.18 1.2025 10 0 2 79.89 2.76 1.2007 4 2 6 80.31 2.32 1.1955 3 5 1 81.74 1.96 1.1782 6 0 6 82.16 1.64 1.1732 8 2 4 82.91 6.45 1.1644 10 2 0 83.83 2.38 1.1540 3 1 7 86.65 2.45 1.1236 10 2 2 87.29 1.92 1.1169 5 5 1 87.87 6.40 1.1111 8 4 0 88.61 4.08 1.1037 6 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.