Veszelyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070312 Ghose S, Leo S R, Wan C American Mineralogist 59 (1974) 573-581 Structural chemistry of copper and zinc minerals. Part I. Veszelyite, (Cu,Zn)2ZnPO4(OH)3.2H2O: A novel type of sheet structure and crystal chemistry of copper-zinc substitution CELL PARAMETERS: 9.8450 10.2386 7.5203 90.000 103.620 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Cu 0.12991 0.07328 0.49115 1.000 0.987 Cu 0.35837 0.25318 0.45957 1.000 0.945 Zn 0.21036 0.07612 0.06936 1.000 0.989 P 0.41433 0.29884 0.06551 1.000 0.832 O 0.03230 0.15904 0.97475 1.000 1.208 O 0.35754 0.16623 0.98344 1.000 1.234 O 0.46803 0.28632 0.27424 1.000 1.076 O 0.29531 0.39994 0.02472 1.000 1.312 OH 0.26853 0.08673 0.33723 1.000 1.026 OH 0.23522 0.21782 0.62330 1.000 1.006 OH 0.46392 0.40724 0.60096 1.000 0.852 Wa 0.03710 0.38414 0.65793 1.000 1.928 Wa 0.19138 0.40815 0.31930 1.000 1.813 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 9 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 14.95345027 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.11 26.14 7.3088 0 0 1 12.66 100.00 6.9907 1 1 0 14.89 35.06 5.9487 0 1 1 17.32 4.67 5.1193 0 2 0 18.55 19.42 4.7841 2 0 0 19.02 9.59 4.6667 1 1 1 19.64 5.66 4.5202 -2 0 1 19.67 43.72 4.5138 1 2 0 20.49 23.60 4.3343 2 1 0 21.19 4.15 4.1931 0 2 1 21.49 3.26 4.1351 -2 1 1 21.96 1.77 4.0467 -1 2 1 24.30 3.29 3.6629 1 2 1 24.36 93.19 3.6544 0 0 2 25.48 10.34 3.4954 2 2 0 25.49 46.77 3.4949 -1 1 2 25.89 2.11 3.4417 0 1 2 26.30 2.11 3.3884 -2 2 1 27.75 1.39 3.2145 1 3 0 28.39 9.53 3.1439 -2 1 2 29.33 11.43 3.0451 3 1 0 29.46 6.15 3.0315 1 1 2 29.70 9.36 3.0084 -1 2 2 30.18 37.09 2.9612 2 2 1 31.27 6.94 2.8603 1 3 1 32.22 78.21 2.7784 2 3 0 32.25 1.30 2.7757 -2 2 2 32.91 4.87 2.7218 -3 2 1 33.09 3.22 2.7070 3 2 0 33.21 16.34 2.6975 1 2 2 33.82 36.50 2.6507 -3 1 2 34.20 5.57 2.6215 2 0 2 35.34 3.77 2.5396 2 1 2 36.01 5.83 2.4943 0 3 2 36.12 59.02 2.4866 2 3 1 36.33 13.50 2.4727 1 4 0 36.68 2.51 2.4503 -4 0 1 36.89 1.02 2.4363 0 0 3 37.17 10.25 2.4187 -3 2 2 37.22 6.80 2.4158 0 4 1 37.60 1.10 2.3920 4 0 0 37.67 1.31 2.3878 3 2 1 37.69 1.12 2.3868 -1 4 1 37.90 21.60 2.3736 -2 3 2 37.96 5.80 2.3701 0 1 3 38.33 3.87 2.3485 -2 1 3 38.64 1.74 2.3302 3 3 0 39.89 21.14 2.2601 -4 0 2 40.06 2.88 2.2510 -1 2 3 40.89 1.27 2.2070 -4 1 2 41.29 11.77 2.1866 1 1 3 41.37 3.03 2.1826 -2 2 3 41.68 2.61 2.1671 4 2 0 42.44 14.07 2.1299 4 0 1 42.90 5.09 2.1084 -1 4 2 43.25 6.58 2.0919 2 4 1 43.39 2.92 2.0853 4 1 1 43.53 16.49 2.0790 2 3 2 43.78 2.75 2.0676 -4 2 2 45.29 2.01 2.0022 -3 4 1 45.53 6.38 1.9924 1 4 2 46.03 2.71 1.9718 0 5 1 46.35 2.98 1.9588 4 3 0 46.52 5.69 1.9520 -4 0 3 47.01 13.28 1.9329 -5 1 1 47.41 1.73 1.9175 -4 1 3 47.68 3.20 1.9074 1 5 1 48.30 2.53 1.8844 -4 3 2 48.64 1.52 1.8718 -3 4 2 48.65 1.20 1.8717 1 3 3 48.83 1.79 1.8652 -2 5 1 49.05 4.16 1.8574 3 4 1 49.12 8.51 1.8546 2 2 3 49.33 3.61 1.8473 -1 1 4 49.62 1.98 1.8372 -5 2 1 49.90 1.60 1.8274 3 3 2 49.91 1.97 1.8272 0 0 4 50.51 1.02 1.8069 4 3 1 50.91 2.83 1.7937 -1 5 2 50.95 1.19 1.7925 5 2 0 51.00 1.92 1.7908 -1 4 3 51.11 2.38 1.7872 4 1 2 51.60 4.21 1.7712 -5 2 2 51.64 1.46 1.7700 -4 4 1 51.81 4.13 1.7647 0 4 3 52.09 1.27 1.7558 -2 4 3 52.28 4.74 1.7499 -3 1 4 52.35 2.88 1.7477 4 4 0 53.00 2.73 1.7277 5 1 1 53.15 2.23 1.7231 3 5 0 53.17 3.46 1.7228 3 1 3 53.29 12.29 1.7189 2 3 3 53.71 11.98 1.7064 0 6 0 54.13 1.17 1.6945 -4 3 3 54.13 2.12 1.6942 -4 4 2 54.28 1.44 1.6901 -5 1 3 54.46 1.06 1.6849 1 4 3 54.70 3.15 1.6780 -3 2 4 55.28 5.89 1.6617 0 6 1 55.40 1.22 1.6583 5 2 1 55.56 6.36 1.6540 3 2 3 55.64 14.33 1.6517 -4 0 4 56.03 2.19 1.6412 -3 5 2 56.36 16.73 1.6326 -2 3 4 56.38 1.19 1.6318 1 2 4 57.18 4.99 1.6109 0 3 4 57.33 4.24 1.6072 2 6 0 58.11 3.88 1.5874 -6 1 2 58.58 1.82 1.5757 6 1 0 58.76 1.24 1.5713 -4 5 1 58.78 1.91 1.5709 2 4 3 58.92 3.09 1.5676 0 5 3 59.13 1.04 1.5623 -6 2 1 59.22 2.02 1.5603 -5 4 1 59.81 4.73 1.5462 0 6 2 59.89 1.22 1.5443 2 6 1 60.27 5.53 1.5356 4 0 3 60.99 5.38 1.5193 -5 4 2 61.01 2.06 1.5186 4 1 3 61.06 1.28 1.5175 -4 5 2 61.36 5.02 1.5108 1 5 3 62.85 8.94 1.4786 -6 3 1 63.66 1.72 1.4618 0 0 5 64.05 4.89 1.4538 -6 3 2 64.27 1.42 1.4493 -5 2 4 64.38 4.11 1.4471 0 1 5 64.42 2.96 1.4462 5 4 1 64.44 2.70 1.4459 1 7 0 64.57 2.16 1.4433 3 4 3 64.76 5.29 1.4396 -2 2 5 64.82 1.42 1.4383 -1 2 5 65.24 2.40 1.4301 2 6 2 65.81 6.25 1.4190 -5 5 1 66.32 1.73 1.4094 -3 2 5 66.80 2.64 1.4004 4 3 3 66.81 3.22 1.4003 -4 6 1 67.28 3.48 1.3916 -7 1 1 67.28 2.78 1.3916 -2 7 1 67.37 1.49 1.3899 -4 1 5 67.71 1.07 1.3839 1 1 5 68.01 4.16 1.3784 -6 3 3 68.30 2.24 1.3733 -2 3 5 68.88 4.38 1.3631 6 3 1 68.95 3.03 1.3619 -4 6 2 69.00 2.38 1.3611 -1 7 2 69.38 1.58 1.3546 -7 2 1 70.03 1.32 1.3435 -7 2 2 70.74 4.58 1.3317 4 6 1 70.88 1.40 1.3295 3 7 0 72.66 2.28 1.3013 -5 4 4 72.73 1.40 1.3001 4 1 4 73.12 2.11 1.2943 -2 4 5 73.18 1.57 1.2933 -1 4 5 73.35 4.85 1.2908 -3 7 2 73.69 1.13 1.2856 -4 5 4 73.75 2.64 1.2847 -4 6 3 74.09 2.53 1.2797 7 1 1 74.54 2.63 1.2731 -6 3 4 76.10 1.25 1.2508 -2 7 3 77.83 1.82 1.2273 -8 0 1 77.90 2.78 1.2264 2 3 5 77.92 1.38 1.2261 1 4 5 78.73 1.33 1.2155 3 1 5 79.15 1.01 1.2101 6 0 3 79.58 1.56 1.2046 -3 2 6 80.00 2.78 1.1993 5 4 3 80.74 1.20 1.1902 -8 0 3 80.78 1.57 1.1897 0 5 5 81.02 3.53 1.1868 -4 6 4 83.75 1.30 1.1549 -8 3 1 84.97 1.94 1.1415 4 6 3 86.12 1.80 1.1291 -3 7 4 87.96 1.30 1.1101 0 6 5 88.30 1.08 1.1068 2 9 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.