Allanpringite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080147 Kolitsch U, Bernhardt H J, Lengauer C L, Blass G, Tillmanns E European Journal of Mineralogy 18 (2006) 793-801 Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany, and its close relation to wavellite Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany CELL PARAMETERS: 9.7900 7.3620 17.8300 90.000 92.090 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Fe 0.27493 0.61850 0.24870 0.920 1.350 Al 0.27493 0.61850 0.24870 0.080 1.350 Fe 0.74539 0.64220 0.48712 0.910 1.248 Al 0.74539 0.64220 0.48712 0.090 1.248 Fe 0.75612 0.14250 0.48182 0.920 1.366 Al 0.75612 0.14250 0.48182 0.080 1.366 P 0.43720 0.61040 0.41119 1.000 1.398 P 0.05480 0.09690 0.40389 1.000 1.469 O 0.58920 0.56400 0.41670 1.000 1.690 O 0.35400 0.43760 0.42330 1.000 1.382 O 0.40360 0.76040 0.46800 1.000 1.855 O 0.40200 0.68560 0.33140 1.000 2.211 O 0.09580 0.26260 0.44960 1.000 1.832 O 0.07890 0.12530 0.32130 1.000 2.763 O 0.13260 -0.07570 0.42700 1.000 1.540 O 0.90170 0.06510 0.41200 1.000 1.476 OH 0.21000 0.86270 0.22540 1.000 2.369 Wa 0.12300 0.54700 0.16770 1.000 2.842 Wa 0.11240 0.61960 0.33130 1.000 3.632 OH 0.83040 0.39530 0.48090 1.000 1.745 OH 0.67340 0.89500 0.48230 1.000 2.029 Wa 0.84810 0.70770 0.38860 1.000 2.053 Wa 0.64000 0.20780 0.37960 1.000 2.211 Wa 0.81100 0.23800 0.25130 0.500 3.948 Wa 0.77500 0.11400 0.24960 0.500 4.658 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 6 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 10.56387930 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.93 100.00 8.9091 0 0 2 10.15 49.93 8.7109 -1 0 1 10.47 45.80 8.4468 1 0 1 15.06 40.40 5.8826 1 1 0 15.76 3.74 5.6228 -1 1 1 15.97 6.26 5.5499 1 1 1 17.18 14.89 5.1612 -1 0 3 17.75 17.19 4.9969 1 0 3 17.89 3.42 4.9592 -1 1 2 18.13 46.26 4.8917 2 0 0 18.25 2.25 4.8602 1 1 2 19.93 15.64 4.4545 0 0 4 21.02 3.14 4.2261 -1 1 3 21.03 1.14 4.2234 2 0 2 21.49 2.17 4.1345 1 1 3 21.81 6.90 4.0743 2 1 0 22.53 2.15 3.9459 2 1 1 24.70 54.59 3.6049 0 2 1 24.81 1.92 3.5893 -1 1 4 25.34 3.74 3.5143 1 1 4 25.86 4.26 3.4452 1 2 0 26.14 2.92 3.4084 -2 1 3 26.28 2.26 3.3907 -1 2 1 26.41 2.84 3.3745 1 2 1 26.57 44.21 3.3550 -2 0 4 27.57 39.99 3.2354 2 0 4 27.64 26.66 3.2273 -1 2 2 27.89 33.16 3.1995 1 2 2 27.99 1.51 3.1874 3 0 1 28.53 1.66 3.1288 0 2 3 29.01 4.77 3.0780 -1 1 5 29.25 3.38 3.0530 -2 1 4 29.59 3.62 3.0188 1 1 5 30.17 3.72 2.9620 2 1 4 30.39 1.48 2.9413 2 2 0 30.56 1.60 2.9250 3 1 1 30.79 10.86 2.9036 -3 0 3 31.53 1.29 2.8375 0 2 4 31.78 5.30 2.8156 3 0 3 31.97 1.59 2.7996 3 1 2 32.65 4.03 2.7423 -1 2 4 32.88 2.06 2.7237 -2 1 5 33.17 5.30 2.7011 -3 1 3 33.50 9.37 2.6747 -1 1 6 33.71 2.55 2.6591 -2 2 3 33.92 2.61 2.6429 2 1 5 34.09 2.28 2.6298 3 1 3 34.12 12.06 2.6279 1 1 6 34.32 6.83 2.6131 2 2 3 35.95 1.25 2.4984 2 0 6 36.81 1.42 2.4418 1 0 7 36.82 11.55 2.4410 3 2 0 36.83 1.04 2.4405 3 1 4 36.91 1.49 2.4353 -2 1 6 37.95 6.09 2.3708 -3 2 2 38.51 6.32 2.3380 3 2 2 38.72 3.23 2.3253 -3 1 5 38.80 3.23 2.3211 4 1 0 38.97 1.08 2.3113 0 2 6 39.26 1.59 2.2945 1 3 2 39.29 2.54 2.2932 -2 2 5 39.79 1.99 2.2654 -4 1 2 39.82 1.54 2.2638 -1 2 6 40.18 5.92 2.2444 2 2 5 40.35 1.55 2.2352 1 2 6 40.50 3.21 2.2273 0 0 8 40.97 2.12 2.2027 1 3 3 41.15 6.36 2.1935 2 3 0 41.39 1.87 2.1814 -2 3 1 41.46 11.07 2.1777 -4 0 4 41.56 1.56 2.1727 2 3 1 42.23 1.11 2.1401 -3 1 6 42.27 2.16 2.1380 -2 3 2 42.61 1.86 2.1218 2 3 2 42.82 9.11 2.1117 4 0 4 43.73 2.25 2.0699 3 1 6 44.05 6.90 2.0555 -2 0 8 44.34 5.61 2.0430 -3 0 7 45.35 5.76 1.9997 2 0 8 45.62 1.13 1.9887 3 2 5 46.03 5.67 1.9720 3 0 7 46.46 1.43 1.9544 -1 0 9 47.17 1.23 1.9268 1 0 9 47.24 1.35 1.9239 -3 3 2 47.57 5.84 1.9115 -3 2 6 47.73 1.11 1.9056 0 2 8 48.88 1.47 1.8632 -5 1 2 48.95 7.14 1.8610 3 2 6 49.53 6.38 1.8405 0 4 0 49.63 1.11 1.8367 5 1 2 50.44 1.17 1.8094 -3 3 4 50.45 1.62 1.8088 1 4 0 50.70 1.10 1.8007 -1 4 1 50.77 2.13 1.7983 1 4 1 50.95 5.47 1.7922 -4 2 5 52.39 1.45 1.7463 -1 3 7 52.41 4.78 1.7459 4 2 5 52.90 2.10 1.7309 1 3 7 53.02 2.23 1.7271 1 4 3 53.17 3.56 1.7226 2 4 0 53.71 2.17 1.7065 -5 2 2 53.90 3.64 1.7010 0 4 4 54.42 3.10 1.6860 5 2 2 54.72 2.84 1.6775 -4 0 8 54.80 1.11 1.6753 -3 1 9 55.34 1.03 1.6601 -2 4 3 55.37 5.04 1.6593 -2 2 9 56.43 2.80 1.6306 6 0 0 56.50 2.46 1.6286 -5 2 4 56.61 5.43 1.6260 2 2 9 56.92 1.57 1.6177 4 0 8 57.08 4.35 1.6136 -2 4 4 57.31 3.74 1.6076 -1 0 11 57.62 7.82 1.5998 2 4 4 57.86 3.36 1.5936 5 2 4 57.96 1.16 1.5910 -1 2 10 58.06 3.09 1.5888 1 0 11 58.43 2.54 1.5794 -5 0 7 58.63 1.58 1.5744 1 2 10 59.46 1.51 1.5545 -3 4 3 60.05 1.72 1.5406 3 4 3 60.75 1.24 1.5247 5 0 7 61.19 4.64 1.5148 -5 2 6 62.56 2.28 1.4848 0 0 12 62.71 1.03 1.4816 6 2 1 62.82 3.67 1.4791 -1 4 7 63.12 4.96 1.4729 5 2 6 63.23 2.74 1.4706 4 4 0 63.27 1.95 1.4698 1 4 7 63.83 1.35 1.4583 -3 2 10 64.64 1.51 1.4418 -4 2 9 65.72 1.50 1.4208 3 2 10 65.83 1.07 1.4188 0 4 8 66.52 2.19 1.4057 -4 4 4 66.89 1.57 1.3987 4 2 9 68.31 1.26 1.3731 7 1 0 68.42 1.93 1.3712 -2 4 8 69.17 1.45 1.3581 6 3 0 72.80 1.93 1.2992 -7 2 2 73.63 2.07 1.2865 7 2 2 73.77 3.45 1.2845 0 2 13 78.34 1.10 1.2205 6 4 0 79.10 1.16 1.2107 -1 4 11 83.69 1.10 1.1556 0 4 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.