Wagnerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070559 Tadini C Bulletin de Mineralogie 104 (1981) 677-680 Magniotriplite: its crystal structure and relation to the triplite-triploidite group Locality: a pegmatite of the Valmy, Alberes massif, Pyrenees, France Note: IMA approved name for this mineral has been changed from magniotriplite CELL PARAMETERS: 11.9960 6.4156 9.8442 90.000 107.579 90.000 SPACE GROUP: I2/a ATOM X Y Z OCCUPANCY ISO(B) Fe 0.19060 -0.02270 0.19640 0.560 1.610 Mn 0.19060 -0.02270 0.19640 0.150 1.610 Mg 0.19060 -0.02270 0.19640 0.290 1.610 Fe 0.09170 0.14360 0.45530 0.320 1.640 Mn 0.09170 0.14360 0.45530 0.080 1.640 Mg 0.09170 0.14360 0.45530 0.600 1.640 P 0.07530 0.65170 0.38100 1.000 1.050 O 0.05570 0.82940 0.47580 1.000 1.680 O 0.96120 0.60290 0.26290 1.000 1.580 O 0.16990 0.70990 0.31300 1.000 1.740 O 0.11740 0.46150 0.47870 1.000 1.370 F 0.25880 0.09920 0.41340 0.340 1.990 OH 0.25880 0.09920 0.41340 0.160 1.990 F 0.28320 0.16980 0.33430 0.340 2.100 OH 0.28320 0.16980 0.33430 0.160 2.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 9.630049121 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.74 6.44 5.2963 0 1 1 20.54 2.67 4.3237 -2 0 2 20.83 13.37 4.2648 -2 1 1 24.78 34.53 3.5923 2 1 1 26.53 42.35 3.3592 1 1 2 27.81 4.47 3.2078 0 2 0 28.01 70.76 3.1860 2 0 2 29.70 93.84 3.0075 -1 2 1 31.29 5.68 2.8590 4 0 0 31.34 100.00 2.8544 -4 0 2 31.41 3.25 2.8478 -2 1 3 31.83 53.14 2.8117 0 1 3 31.99 17.47 2.7976 2 2 0 32.97 26.04 2.7168 -4 1 1 33.85 10.01 2.6481 0 2 2 34.82 19.37 2.5762 -2 2 2 35.98 20.98 2.4963 -3 2 1 36.75 14.57 2.4453 -2 0 4 38.24 3.65 2.3537 4 1 1 38.32 2.06 2.3486 -4 1 3 38.37 3.41 2.3461 0 0 4 39.36 6.33 2.2891 2 1 3 39.39 7.93 2.2875 -1 1 4 39.88 6.91 2.2605 2 2 2 40.82 8.31 2.2108 -5 1 2 41.09 3.32 2.1966 -3 1 4 41.66 3.48 2.1678 4 0 2 41.78 1.08 2.1619 -4 0 4 42.39 7.18 2.1324 -4 2 2 42.79 13.46 2.1133 1 2 3 43.03 1.18 2.1021 1 3 0 43.40 16.00 2.0851 0 3 1 45.28 7.17 2.0026 -2 3 1 45.65 5.76 1.9875 -6 0 2 46.04 15.82 1.9715 2 0 4 46.34 3.86 1.9594 -1 3 2 46.71 6.65 1.9447 -2 2 4 47.40 7.08 1.9179 2 3 1 47.72 3.32 1.9060 6 0 0 47.89 16.08 1.8995 -6 1 1 48.05 2.54 1.8937 0 2 4 48.38 1.83 1.8816 -2 1 5 48.83 2.41 1.8651 3 3 0 49.88 1.47 1.8284 -3 3 2 49.99 5.17 1.8244 -6 1 3 50.50 6.94 1.8074 -5 2 3 50.68 6.76 1.8014 0 1 5 50.94 8.33 1.7927 -4 2 4 51.46 1.08 1.7757 5 1 2 51.51 3.06 1.7742 -2 3 3 51.53 6.02 1.7735 -4 1 5 51.61 1.17 1.7710 3 2 3 51.78 2.50 1.7654 0 3 3 52.39 7.45 1.7465 5 2 1 52.56 11.58 1.7412 -4 3 1 53.62 9.13 1.7091 3 1 4 54.64 2.18 1.6796 2 2 4 55.55 3.03 1.6542 -3 2 5 55.66 1.40 1.6514 3 3 2 56.08 1.11 1.6400 -2 0 6 56.13 2.46 1.6386 6 2 0 56.33 2.12 1.6333 4 3 1 57.17 15.80 1.6112 2 3 3 57.42 11.61 1.6049 6 0 2 57.96 10.93 1.5910 2 1 5 58.04 2.80 1.5890 -4 0 6 58.28 3.57 1.5832 7 1 0 58.49 7.13 1.5780 -3 3 4 58.53 2.27 1.5770 -1 4 1 59.52 6.30 1.5531 -6 1 5 59.87 1.01 1.5448 -6 2 4 59.89 7.20 1.5443 2 4 0 60.85 3.81 1.5223 -5 2 5 61.06 4.51 1.5177 0 4 2 61.68 6.51 1.5038 -2 4 2 61.81 3.02 1.5011 -7 2 1 61.88 3.17 1.4995 -8 0 2 62.70 3.65 1.4819 -5 1 6 62.73 5.96 1.4811 -7 2 3 64.15 2.61 1.4517 1 1 6 64.19 1.54 1.4510 5 2 3 64.33 6.55 1.4482 -2 3 5 64.63 4.64 1.4422 -8 1 3 64.67 4.84 1.4412 -6 0 6 64.69 1.19 1.4409 -1 4 3 64.97 1.56 1.4353 6 2 2 65.00 5.64 1.4348 3 4 1 65.27 4.08 1.4295 8 0 0 65.39 2.09 1.4272 -8 0 4 65.41 5.70 1.4267 4 2 4 65.56 3.88 1.4239 -4 2 6 65.68 4.07 1.4216 -6 3 3 66.25 7.62 1.4107 0 3 5 66.30 1.00 1.4099 6 1 3 66.79 1.11 1.4007 5 1 4 66.86 4.64 1.3993 4 3 3 66.92 1.34 1.3983 -4 4 2 66.98 3.17 1.3971 -4 3 5 67.78 2.14 1.3825 7 1 2 68.46 4.25 1.3704 -2 1 7 68.60 1.03 1.3681 3 2 5 68.95 3.28 1.3620 6 3 1 69.15 1.94 1.3584 -8 2 2 69.24 1.10 1.3570 4 1 5 71.28 3.14 1.3230 -7 1 6 71.81 1.65 1.3146 -6 2 6 72.58 3.03 1.3026 2 3 5 72.77 1.08 1.2996 6 0 4 73.17 2.92 1.2935 -5 4 3 73.52 2.36 1.2881 -4 4 4 73.62 1.01 1.2866 2 2 6 76.80 1.45 1.2411 -1 5 2 77.83 5.14 1.2272 6 4 0 78.76 3.22 1.2151 -9 2 1 79.27 1.00 1.2085 -3 1 8 80.15 2.09 1.1974 6 3 3 80.61 1.48 1.1918 5 3 4 81.51 2.39 1.1810 -5 1 8 81.85 1.48 1.1768 8 2 2 82.77 1.21 1.1661 -7 4 1 83.07 3.91 1.1626 -4 3 7 83.83 2.51 1.1540 8 1 3 86.01 1.98 1.1302 4 4 4 86.53 1.16 1.1248 9 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.