Devitoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130083 Kampf A R, Rossman G R, Steele I M, Pluth J J, Dunning G E, Walstrom R E The Canadian Mineralogist 48 (2010) 29-40 Devitoite, a new heterophyllosilicate mineral with astrophyllite-like layers from eastern Fresno County, California Locality: Big Creek, eastern Fresno County, California _database_code_amcsd 0006313 CELL PARAMETERS: 5.3437 11.6726 14.6800 91.337 96.757 103.233 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ba 0.51890 0.94340 0.64460 1.000 3.474 Ba 0.16650 0.26870 0.59720 1.000 2.763 Ba 0.82160 0.55290 0.64130 1.000 3.632 P 0.34200 0.66100 0.53200 1.000 2.290 O 0.17100 0.73200 0.56900 1.000 3.474 O 0.68000 0.33100 0.57200 1.000 4.579 O 0.60600 0.73300 0.56900 1.000 3.237 O 0.28600 0.53400 0.55800 1.000 5.685 C 0.00000 0.00000 0.50000 1.000 4.737 O 0.23200 0.04300 0.54100 0.500 2.685 O 0.04000 0.03400 0.58600 0.500 0.395 O 0.82900 0.03700 0.53500 0.500 5.527 Fe 0.13120 0.28400 0.98290 1.000 2.290 Fe 0.71040 0.42710 0.99210 1.000 2.290 Fe 0.56550 0.14250 0.98680 1.000 2.448 Fe 0.00000 0.00000 0.00000 1.000 2.606 Fe 0.72710 0.27040 0.78750 1.000 2.369 Si 0.14800 0.10490 0.79810 1.000 1.737 Si 0.03100 0.83780 0.82250 1.000 2.211 Si 0.46900 0.70850 0.82640 1.000 1.737 Si 0.31900 0.43950 0.80600 1.000 1.895 O 0.20000 0.13200 0.91000 1.000 2.685 O 0.77500 0.27800 0.91300 1.000 2.132 O 0.06800 0.85000 0.93200 1.000 1.263 OH 0.36300 0.01500 0.07200 1.000 3.158 OH 0.07400 0.42600 0.07000 1.000 2.369 O 0.49200 0.28800 0.06200 1.000 2.053 O 0.34900 0.43200 0.91700 1.000 2.842 O 0.73800 0.76600 0.78500 1.000 4.816 O 0.02500 0.38700 0.75500 1.000 4.501 O 0.23800 0.77400 0.78600 1.000 4.579 O 0.91100 0.14800 0.75100 1.000 5.527 O 0.51500 0.38500 0.76000 1.000 3.711 O 0.06700 0.95900 0.77500 1.000 4.816 O 0.38100 0.57600 0.78300 1.000 6.632 O 0.40100 0.14800 0.75300 1.000 4.501 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 10 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 9.825301339 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.79 8.74 11.3473 0 1 0 9.63 1.76 9.1844 0 -1 1 10.13 27.27 8.7323 0 1 1 12.16 27.37 7.2792 0 0 2 15.62 1.02 5.6736 0 2 0 17.07 6.79 5.1958 0 2 1 18.28 56.38 4.8528 0 0 3 20.38 5.17 4.3568 -1 2 0 20.50 12.95 4.3318 1 1 0 20.64 3.50 4.3026 -1 -1 1 20.89 27.91 4.2527 -1 2 1 22.08 2.35 4.0260 1 -1 2 22.14 73.33 4.0159 1 1 1 22.34 2.09 3.9791 1 0 2 22.52 12.09 3.9474 -1 -1 2 23.08 72.33 3.8535 -1 2 2 23.50 23.58 3.7864 0 -2 3 23.52 4.18 3.7824 0 3 0 23.53 6.64 3.7817 -1 0 3 23.81 1.33 3.7369 -1 1 3 24.00 2.09 3.7081 0 -3 1 24.50 77.77 3.6330 1 -2 2 24.62 41.15 3.6154 0 3 1 24.75 24.53 3.5966 0 2 3 25.21 19.23 3.5321 1 1 2 25.31 1.76 3.5193 0 -1 4 25.79 100.00 3.4550 -1 -1 3 25.91 1.32 3.4388 1 2 0 25.98 26.10 3.4301 0 -3 2 26.25 2.01 3.3945 -1 3 1 26.44 15.19 3.3706 1 -1 3 26.57 1.01 3.3553 -1 2 3 26.70 3.66 3.3382 1 -3 1 27.13 73.59 3.2871 0 3 2 27.37 6.01 3.2584 -1 -2 2 28.16 13.64 3.1688 -1 0 4 28.43 68.74 3.1394 1 -2 3 28.44 3.15 3.1385 0 -2 4 28.49 2.54 3.1326 -1 1 4 28.98 9.13 3.0807 1 -3 2 29.17 13.11 3.0615 0 -3 3 29.32 20.57 3.0466 1 1 3 29.85 2.49 2.9935 0 2 4 30.00 1.70 2.9790 1 2 2 30.01 34.80 2.9774 -1 -1 4 30.06 11.81 2.9728 -1 -2 3 30.71 80.63 2.9117 0 0 5 30.72 14.84 2.9108 0 3 3 30.94 36.01 2.8898 -1 2 4 31.19 8.65 2.8680 -1 3 3 31.32 12.47 2.8563 0 -1 5 31.48 3.89 2.8423 1 -1 4 31.54 10.42 2.8368 0 4 0 31.82 8.84 2.8120 0 -4 1 31.83 7.72 2.8115 1 0 4 32.13 4.85 2.7856 0 1 5 32.27 1.20 2.7742 -1 4 0 32.33 3.78 2.7689 1 -3 3 32.38 3.22 2.7647 -1 -3 1 32.45 1.78 2.7591 1 3 0 32.47 2.92 2.7577 0 4 1 32.76 32.86 2.7337 -1 4 1 32.97 7.41 2.7166 1 -4 1 33.11 1.37 2.7057 1 -2 4 33.26 1.64 2.6935 0 -3 4 33.30 2.99 2.6910 0 -4 2 33.37 1.51 2.6852 -1 0 5 33.50 64.51 2.6752 -1 -3 2 33.61 27.45 2.6662 -2 1 1 33.64 7.70 2.6641 1 2 3 33.69 2.17 2.6600 1 3 1 33.73 7.61 2.6572 -1 1 5 33.78 71.11 2.6532 -2 1 0 33.87 7.96 2.6470 0 -2 5 34.11 29.25 2.6283 1 1 4 34.40 19.82 2.6072 -1 4 2 34.59 7.72 2.5930 -2 1 2 34.80 13.67 2.5777 1 -4 2 35.09 10.56 2.5576 2 -1 1 35.09 1.52 2.5570 0 3 4 35.37 2.61 2.5374 0 2 5 35.61 1.18 2.5210 -2 2 2 35.70 7.13 2.5152 -1 -3 3 35.93 15.98 2.4992 -1 2 5 36.01 3.65 2.4942 1 3 2 36.12 2.52 2.4870 2 0 1 36.64 4.84 2.4528 -2 1 3 37.05 11.50 2.4264 -1 4 3 37.31 1.12 2.4100 -2 3 1 37.33 5.74 2.4089 1 0 5 37.42 6.36 2.4034 2 -1 2 37.51 1.16 2.3978 2 1 0 37.55 2.03 2.3954 0 4 3 37.62 3.12 2.3909 1 -4 3 37.68 1.78 2.3873 -2 2 3 38.01 5.50 2.3675 0 -3 5 38.31 3.68 2.3494 1 -2 5 38.34 2.83 2.3479 0 1 6 38.82 8.52 2.3197 -1 -3 4 39.23 2.53 2.2966 1 3 3 39.36 5.70 2.2894 -1 1 6 39.40 3.70 2.2868 1 1 5 39.47 8.75 2.2830 -1 5 0 39.54 10.83 2.2790 -1 -4 1 39.63 12.81 2.2741 0 -2 6 39.67 2.08 2.2721 1 4 0 39.72 2.26 2.2695 0 5 0 39.73 3.12 2.2685 -2 -1 3 39.88 6.02 2.2603 0 -5 1 40.00 11.21 2.2542 1 -5 1 40.05 7.04 2.2513 0 3 5 40.25 2.55 2.2407 -1 -1 6 40.36 1.07 2.2347 -2 3 3 40.42 8.32 2.2316 -1 -4 2 40.43 3.67 2.2313 2 -3 2 40.55 12.78 2.2247 -1 4 4 40.63 34.65 2.2205 2 -1 3 40.65 1.40 2.2194 -2 2 4 41.04 5.47 2.1993 0 -5 2 41.12 1.81 2.1952 2 1 2 41.20 4.45 2.1911 2 -2 3 41.22 3.37 2.1901 0 2 6 41.25 1.36 2.1884 1 -4 4 41.36 5.75 2.1831 0 4 4 41.37 2.41 2.1827 -1 2 6 41.41 1.16 2.1806 -1 5 2 41.45 2.85 2.1784 -2 4 0 41.50 5.73 2.1761 1 -5 2 41.50 5.14 2.1758 -2 4 1 41.67 5.31 2.1674 2 0 3 41.70 9.79 2.1659 2 2 0 42.00 10.98 2.1513 -2 -2 2 42.25 5.80 2.1392 -1 -4 3 42.33 2.56 2.1353 0 5 2 42.36 12.26 2.1337 2 -4 1 42.39 3.45 2.1321 -2 -1 4 42.51 17.59 2.1263 -2 4 2 42.70 12.97 2.1174 -1 -3 5 42.83 5.62 2.1113 1 4 2 42.99 16.52 2.1041 2 2 1 43.16 3.86 2.0961 1 0 6 43.19 10.11 2.0949 1 3 4 43.24 3.17 2.0923 0 -3 6 43.24 1.75 2.0923 -2 3 4 43.33 2.06 2.0884 2 -3 3 43.35 26.87 2.0874 -2 1 5 43.36 2.79 2.0868 0 -4 5 43.51 4.49 2.0798 0 0 7 43.56 8.00 2.0776 -2 -2 3 43.76 12.22 2.0687 -1 5 3 43.84 4.55 2.0649 -2 0 5 43.85 2.16 2.0648 0 -1 7 43.89 1.02 2.0629 1 -5 3 43.91 1.92 2.0621 1 -2 6 44.19 4.91 2.0497 2 -4 2 44.23 1.02 2.0478 2 1 3 44.38 3.76 2.0412 -2 2 5 44.43 7.71 2.0389 -2 4 3 44.71 2.84 2.0271 0 1 7 44.88 1.27 2.0195 -1 0 7 45.04 1.13 2.0130 2 -2 4 45.15 4.59 2.0080 2 2 2 45.29 2.15 2.0024 -1 1 7 45.45 6.36 1.9957 0 3 6 45.55 13.00 1.9915 1 -4 5 45.67 5.07 1.9864 0 -2 7 45.71 10.30 1.9849 1 4 3 45.80 3.12 1.9810 0 4 5 45.97 2.11 1.9744 -1 -1 7 46.02 7.27 1.9723 0 -5 4 46.67 2.70 1.9461 -2 -3 1 46.73 2.31 1.9437 -2 5 0 46.84 1.42 1.9396 -2 5 1 46.90 2.86 1.9371 -1 5 4 47.06 3.40 1.9309 1 -5 4 47.17 1.13 1.9269 -1 6 0 47.17 1.00 1.9267 -2 4 4 47.33 2.13 1.9207 0 2 7 47.37 2.23 1.9189 1 5 0 47.64 2.80 1.9088 -1 6 1 48.06 1.42 1.8932 0 -4 6 48.11 4.90 1.8912 0 6 0 48.20 2.92 1.8880 0 -6 1 48.35 1.34 1.8823 -1 -4 5 48.41 4.45 1.8805 1 5 1 48.85 1.92 1.8644 1 -1 7 48.97 3.55 1.8601 -1 6 2 49.10 4.58 1.8553 2 -1 5 49.46 1.38 1.8427 -1 -5 3 49.48 3.90 1.8420 -1 4 6 49.63 5.32 1.8369 0 -5 5 49.63 1.04 1.8368 -2 5 3 49.83 2.42 1.8300 1 -2 7 49.92 1.26 1.8269 -2 -1 6 50.13 1.18 1.8198 0 0 8 50.31 1.31 1.8135 2 3 2 50.34 1.02 1.8125 -1 3 7 50.37 2.01 1.8116 0 -1 8 50.39 1.70 1.8111 1 -4 6 50.89 2.15 1.7945 1 -6 3 51.07 2.01 1.7886 -1 0 8 51.21 1.56 1.7837 0 3 7 51.23 1.19 1.7833 2 -3 5 51.25 1.99 1.7824 0 1 8 51.80 1.64 1.7650 -1 -5 4 51.97 1.92 1.7597 0 -2 8 52.00 1.37 1.7587 -1 -1 8 52.21 14.11 1.7520 -1 -3 7 52.42 1.28 1.7454 -1 -4 6 52.89 1.06 1.7310 -2 -4 1 53.08 1.72 1.7253 -2 6 1 53.26 3.58 1.7200 3 0 0 53.31 3.91 1.7184 -3 3 2 53.97 1.40 1.6989 -1 6 4 54.14 11.33 1.6939 2 -1 6 54.19 1.77 1.6925 3 -3 1 54.23 4.27 1.6914 -1 -2 8 54.28 1.72 1.6899 -3 0 3 54.44 2.07 1.6853 2 -2 6 54.45 1.07 1.6850 2 4 1 54.51 3.91 1.6835 3 0 1 54.52 1.08 1.6832 -2 -4 3 54.57 1.72 1.6817 -2 -1 7 54.61 3.78 1.6807 -3 3 3 54.70 12.60 1.6779 -1 4 7 54.71 1.21 1.6776 -2 4 6 55.14 2.31 1.6657 -1 5 6 55.14 2.38 1.6656 2 0 6 55.20 1.27 1.6639 1 -1 8 55.50 1.01 1.6558 -2 5 5 55.52 1.00 1.6553 1 6 0 55.64 1.22 1.6520 1 0 8 55.69 2.15 1.6506 1 -4 7 55.75 1.64 1.6490 -2 6 3 55.95 1.07 1.6436 0 6 4 56.02 2.14 1.6416 2 2 5 56.03 2.27 1.6413 2 -3 6 56.05 6.72 1.6408 3 -3 2 56.19 1.50 1.6371 1 5 4 56.19 6.61 1.6371 -3 0 4 56.23 1.99 1.6358 -1 3 8 56.58 1.08 1.6267 2 3 4 56.66 1.43 1.6245 3 -4 1 56.75 1.26 1.6223 -3 -1 3 56.79 8.38 1.6210 0 7 0 56.82 9.64 1.6204 0 -7 1 56.93 1.26 1.6176 0 0 9 57.33 1.49 1.6070 1 1 8 57.39 1.33 1.6055 2 1 6 57.43 1.48 1.6045 -2 -2 7 57.51 1.32 1.6026 -1 6 5 57.66 3.66 1.5986 -1 -3 8 57.95 1.89 1.5913 -1 1 9 57.98 5.86 1.5907 -2 1 8 58.15 2.03 1.5865 1 -3 8 58.23 1.35 1.5844 -2 0 8 58.27 1.62 1.5834 1 4 6 58.31 9.89 1.5825 1 3 7 58.49 2.46 1.5779 1 -7 3 58.62 1.10 1.5747 3 -3 3 58.83 1.33 1.5697 2 -4 6 58.97 1.75 1.5663 -2 2 8 59.02 3.51 1.5651 0 7 2 59.04 1.34 1.5647 2 4 3 59.14 1.64 1.5621 0 -7 3 59.16 4.76 1.5618 -2 -4 5 59.18 6.14 1.5612 -3 -2 1 59.19 6.40 1.5610 -3 5 1 59.22 3.71 1.5603 3 0 3 59.31 3.34 1.5582 -1 -6 4 59.35 2.76 1.5571 -2 4 7 59.37 6.83 1.5568 -3 5 0 59.40 7.35 1.5559 -3 -2 2 59.40 3.78 1.5559 -3 3 5 59.63 2.23 1.5506 -1 2 9 59.67 2.44 1.5496 0 6 5 59.70 1.08 1.5488 3 2 0 59.71 1.75 1.5485 -2 -1 8 59.76 1.26 1.5475 -3 5 2 59.86 1.56 1.5450 -2 -5 1 59.89 1.51 1.5445 -2 7 0 60.06 5.46 1.5403 2 -6 4 60.23 2.73 1.5366 1 2 8 60.48 1.39 1.5307 0 -6 6 60.81 1.90 1.5233 2 2 6 61.02 2.50 1.5186 1 -7 4 61.31 1.79 1.5121 -2 6 5 61.41 7.60 1.5098 1 -4 8 62.07 1.34 1.4954 -1 -6 5 62.28 1.98 1.4907 1 0 9 62.48 2.86 1.4864 -2 -4 6 62.58 1.69 1.4843 3 0 4 62.80 1.37 1.4796 -3 3 6 63.57 1.11 1.4635 2 -6 5 63.76 1.46 1.4597 -2 1 9 64.06 1.43 1.4536 0 -1 10 64.12 1.51 1.4523 -3 6 0 64.15 1.82 1.4517 -3 -3 2 64.49 1.19 1.4449 1 -3 9 64.70 1.22 1.4406 -1 1 10 64.96 1.25 1.4357 3 -6 1 65.01 1.12 1.4346 0 1 10 65.03 1.13 1.4342 -3 -3 3 65.05 1.06 1.4339 1 7 1 65.34 1.03 1.4281 0 -2 10 65.48 1.27 1.4255 -1 5 8 65.70 1.70 1.4211 2 -2 8 65.78 1.33 1.4196 2 5 3 66.51 1.51 1.4058 2 0 8 67.21 1.65 1.3928 0 2 10 67.59 3.55 1.3860 0 7 5 67.64 1.61 1.3850 0 5 8 67.73 1.10 1.3835 3 3 2 67.84 1.17 1.3815 0 -7 6 67.87 1.16 1.3810 -3 6 4 67.87 1.08 1.3809 0 -8 3 67.95 3.93 1.3795 2 6 0 67.96 1.60 1.3794 -2 7 5 68.00 4.87 1.3786 2 -8 1 68.67 1.49 1.3669 -2 8 2 68.75 1.37 1.3654 -2 -6 3 68.85 1.32 1.3636 3 2 4 69.07 1.49 1.3598 -3 5 6 69.21 1.61 1.3574 1 4 8 69.60 2.13 1.3509 0 -5 9 69.79 1.96 1.3476 -1 -3 10 69.95 1.47 1.3449 -2 1 10 70.09 2.81 1.3426 -2 0 10 70.52 3.50 1.3354 -4 2 1 70.53 1.00 1.3353 1 3 9 70.66 5.69 1.3331 -4 2 2 70.85 3.36 1.3300 3 -5 5 70.85 2.70 1.3300 2 6 2 70.94 2.23 1.3286 -2 2 10 70.99 1.87 1.3277 2 -8 3 71.09 3.66 1.3261 -3 -2 7 71.25 1.13 1.3235 0 0 11 71.31 1.07 1.3225 0 -1 11 71.48 1.48 1.3198 -4 2 3 72.35 1.54 1.3061 1 -7 7 72.51 1.48 1.3036 -2 8 4 72.68 1.31 1.3009 -2 -6 5 74.03 1.76 1.2806 -1 -6 8 74.06 2.79 1.2801 1 -4 10 74.45 1.33 1.2743 0 2 11 74.63 1.22 1.2717 -1 9 2 75.11 1.47 1.2647 -4 2 5 75.74 2.30 1.2559 1 8 2 75.92 1.24 1.2533 0 -8 6 76.19 1.13 1.2495 4 1 0 76.46 2.14 1.2459 -1 9 3 76.66 1.30 1.2430 -4 5 3 76.67 1.99 1.2430 4 -2 3 76.96 1.29 1.2390 -2 -7 3 77.26 1.07 1.2349 1 3 10 77.27 1.59 1.2347 1 -7 8 77.51 1.36 1.2315 4 1 1 79.14 1.12 1.2101 -1 -6 9 80.05 2.43 1.1987 2 6 5 81.30 1.10 1.1835 -4 2 7 81.31 1.07 1.1833 2 4 8 85.31 1.63 1.1377 -4 2 8 87.13 1.13 1.1186 -1 4 12 87.95 1.05 1.1102 4 -2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.