Zigrasite Hawthorne F C, Simmons W B Mineralogical Magazine 74 (2010) 567-575 The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, a heteropolyhedral framework structure Locality: Newry, Oxford County, Maine, USA _database_code_amcsd 0014605 CELL PARAMETERS: 5.3049 9.3372 9.6282 97.348 91.534 90.512 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 472.790 Density (g/cm3): 2.652 MAX. ABS. INTENSITY / VOLUME**2: 13.22406657 RIR: 1.624 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.26 100.00 9.5453 0 0 1 2 18.59 17.02 4.7727 0 0 2 2 19.18 3.63 4.6265 -1 1 0 2 19.39 39.99 4.5770 1 1 0 2 20.22 66.27 4.3927 0 -2 1 2 21.01 2.72 4.2293 1 -1 1 2 21.67 77.47 4.1002 -1 1 1 2 22.26 42.02 3.9929 1 1 1 2 25.02 44.33 3.5590 0 -2 2 2 25.76 2.41 3.4583 -1 -1 2 2 27.37 37.55 3.2582 -1 1 2 2 28.17 48.77 3.1676 1 1 2 2 28.38 1.22 3.1447 1 2 1 2 28.53 3.71 3.1288 0 2 2 2 31.59 1.51 2.8325 0 3 1 2 32.02 16.90 2.7948 0 -2 3 2 32.84 4.32 2.7270 -1 -1 3 2 32.84 1.20 2.7269 -1 2 2 2 33.41 14.37 2.6822 -1 3 0 2 33.55 13.67 2.6713 1 -1 3 2 33.78 14.79 2.6532 1 3 0 2 33.81 16.29 2.6513 2 0 0 2 33.82 14.51 2.6501 1 -3 1 2 33.92 13.19 2.6425 -1 -3 1 2 34.85 9.00 2.5746 -1 1 3 2 34.86 3.33 2.5733 -2 0 1 2 35.09 1.06 2.5573 -2 1 0 2 35.39 2.02 2.5362 2 0 1 2 36.25 7.05 2.4782 0 2 3 2 36.81 1.44 2.4417 1 -3 2 2 37.70 1.29 2.3863 0 0 4 2 37.92 1.77 2.3726 0 -3 3 2 38.37 2.23 2.3459 -2 0 2 2 40.13 4.82 2.2468 -1 3 2 2 40.24 1.25 2.2414 0 -2 4 2 40.92 2.90 2.2055 1 3 2 2 41.10 7.71 2.1964 -1 -1 4 2 41.10 3.97 2.1963 0 -4 2 2 41.29 1.76 2.1865 0 4 1 2 41.37 3.29 2.1825 2 2 1 2 41.52 3.25 2.1750 -1 -3 3 2 41.89 4.56 2.1566 1 -3 3 2 41.91 1.86 2.1558 1 -1 4 2 42.27 4.21 2.1379 -2 -2 2 2 42.76 2.95 2.1146 2 -2 2 2 43.34 1.59 2.0875 -1 1 4 2 43.83 3.66 2.0656 -2 0 3 2 44.18 12.57 2.0501 -2 2 2 2 44.32 1.40 2.0438 1 1 4 2 44.91 3.63 2.0184 0 2 4 2 45.12 5.39 2.0092 2 0 3 2 45.40 5.92 1.9977 0 -4 3 2 45.43 13.07 1.9964 2 2 2 2 45.70 2.30 1.9853 0 4 2 2 47.25 2.37 1.9235 1 3 3 2 47.63 2.15 1.9091 0 0 5 2 47.68 1.34 1.9072 2 -2 3 2 48.54 2.64 1.8756 1 -3 4 2 49.63 4.00 1.8368 -2 2 3 2 50.14 3.86 1.8195 -1 -1 5 2 51.03 3.81 1.7898 1 -1 5 2 51.17 4.43 1.7852 2 2 3 2 51.34 8.56 1.7795 0 -4 4 2 51.90 2.85 1.7618 1 -5 1 2 52.13 1.94 1.7547 -2 4 0 2 52.15 1.09 1.7540 -1 -5 1 2 52.26 1.82 1.7504 2 -4 1 2 52.58 1.10 1.7406 -2 -4 1 2 52.82 1.49 1.7331 2 4 0 2 52.85 1.84 1.7322 3 1 0 2 52.95 2.75 1.7292 -2 -2 4 2 53.26 1.46 1.7200 -3 -1 1 2 53.49 2.27 1.7131 -3 1 1 2 53.57 3.12 1.7107 1 -5 2 2 53.62 8.01 1.7091 -1 -5 2 2 53.85 3.12 1.7026 -1 3 4 2 53.86 7.22 1.7021 -2 4 1 2 54.12 2.13 1.6947 2 -2 4 2 54.18 1.52 1.6928 -1 5 1 2 54.27 2.72 1.6902 0 2 5 2 54.31 5.53 1.6891 3 1 1 2 54.85 1.05 1.6739 1 3 4 2 54.91 6.67 1.6720 2 4 1 2 55.71 3.13 1.6499 -1 -3 5 2 56.20 3.97 1.6368 -3 1 2 2 56.34 1.23 1.6330 3 -1 2 2 56.49 5.86 1.6291 -2 2 4 2 56.88 1.30 1.6188 -1 -5 3 2 57.01 3.26 1.6154 1 -5 3 2 57.35 1.04 1.6065 -2 4 2 2 57.53 1.21 1.6020 3 1 2 2 57.58 1.28 1.6008 -2 -4 3 2 57.97 3.07 1.5909 0 0 6 2 58.00 1.69 1.5902 2 -4 3 2 58.25 2.58 1.5838 2 2 4 2 58.60 1.31 1.5753 0 -4 5 2 58.72 1.05 1.5724 2 4 2 2 58.75 1.32 1.5717 1 5 2 2 58.80 3.15 1.5703 -2 0 5 2 59.05 2.82 1.5644 0 4 4 2 59.42 1.44 1.5554 -3 -1 3 2 59.43 3.90 1.5553 0 -6 1 2 59.85 1.34 1.5453 -1 -1 6 2 59.99 1.29 1.5422 -3 3 0 2 60.43 3.52 1.5320 3 -3 1 2 60.56 4.91 1.5290 2 0 5 2 60.62 1.07 1.5276 -3 -3 1 2 60.70 2.82 1.5257 3 3 0 2 60.76 1.49 1.5244 3 -1 3 2 62.24 1.15 1.4916 -3 -3 2 2 62.38 1.58 1.4885 -1 3 5 2 62.53 1.12 1.4854 -2 -4 4 2 63.32 1.56 1.4688 -1 5 3 2 63.47 3.52 1.4657 1 3 5 2 64.44 2.78 1.4460 -1 -3 6 2 65.21 2.40 1.4306 1 -3 6 2 66.63 1.89 1.4036 3 -1 4 2 68.88 1.59 1.3631 -2 -4 5 2 69.29 1.84 1.3560 0 -2 7 2 69.79 1.13 1.3475 2 0 6 2 69.87 2.17 1.3462 2 -6 1 2 70.18 2.12 1.3411 -2 6 0 2 70.43 2.33 1.3368 -2 -6 1 2 71.02 1.12 1.3272 1 5 4 2 71.06 1.65 1.3266 2 6 0 2 71.12 3.18 1.3256 4 0 0 2 71.16 1.27 1.3250 2 -6 2 2 71.39 1.53 1.3212 -2 -6 2 2 71.59 1.27 1.3181 -4 0 1 2 71.88 1.02 1.3135 -1 3 6 2 73.12 1.52 1.2942 -1 1 7 2 73.58 1.51 1.2873 -1 7 0 2 74.12 1.24 1.2792 -1 -3 7 2 74.30 1.99 1.2766 1 1 7 2 74.78 1.33 1.2695 -4 -2 1 2 74.84 2.29 1.2687 4 -2 1 2 75.14 1.83 1.2643 3 -5 2 2 75.28 1.00 1.2624 -3 -5 2 2 75.71 1.28 1.2563 -1 7 1 2 76.37 1.38 1.2471 1 7 1 2 76.95 1.76 1.2391 0 4 6 2 77.05 1.28 1.2377 4 -2 2 2 77.87 1.22 1.2267 -3 -5 3 2 78.43 1.01 1.2194 -2 -2 7 2 81.83 1.49 1.1771 -3 3 5 2 85.25 1.29 1.1385 3 5 3 2 89.69 1.09 1.0932 0 8 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.