Vanadiocarpholite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080099 Basso R, Cabella R, Lucchetti G, Martinelli A, Palenzona A European Journal of Mineralogy 17 (2005) 501-507 Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral from the Molinello mine, northern Apennines, Italy Note: sample VC Locality: Molinello mine, northern Apennines, Italy CELL PARAMETERS: 13.8160 20.6370 5.1740 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Ccca ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.75000 0.25000 0.168 1.000 Mn 0.00000 0.87700 0.75000 0.920 0.770 Mg 0.00000 0.87700 0.75000 0.080 0.770 V 0.18360 0.75000 0.75000 0.840 0.860 Al 0.18360 0.75000 0.75000 0.160 0.860 Al 0.00000 0.96190 0.25000 0.850 0.500 V 0.00000 0.96190 0.25000 0.150 0.500 Si 0.19390 0.87910 0.40960 1.000 0.580 O 0.20310 0.80070 0.42090 1.000 0.750 O 0.08220 0.89990 0.40580 1.000 0.780 O 0.24930 0.90960 0.66250 1.000 0.710 O 0.09820 0.80840 0.88380 1.000 1.310 O 0.06890 0.96640 0.92620 1.000 0.860 H 0.89800 0.79900 0.42700 1.000 1.000 H 0.13200 0.96200 0.92400 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 18 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 13.94821606 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.57 5.80 10.3185 0 2 0 15.44 100.00 5.7403 2 2 0 17.19 18.33 5.1592 0 4 0 18.81 35.42 4.7171 1 1 1 22.44 3.51 3.9613 1 3 1 23.14 15.45 3.8432 2 2 1 25.79 15.54 3.4540 4 0 0 25.90 12.48 3.4395 0 6 0 27.23 6.94 3.2754 4 2 0 28.41 7.40 3.1420 1 5 1 29.00 10.31 3.0790 2 6 0 29.02 42.90 3.0768 3 3 1 31.16 9.19 2.8702 4 4 0 32.35 18.79 2.7675 4 2 1 33.88 22.51 2.6459 2 6 1 33.92 61.08 2.6425 3 5 1 34.67 4.19 2.5870 0 0 2 34.78 6.95 2.5796 0 8 0 35.57 8.57 2.5237 1 1 2 35.65 4.77 2.5186 1 7 1 35.78 2.98 2.5099 4 4 1 36.88 1.64 2.4372 4 6 0 37.11 4.51 2.4227 2 0 2 37.14 1.22 2.4206 5 1 1 37.72 10.16 2.3851 1 3 2 38.16 2.04 2.3585 2 2 2 39.12 1.05 2.3027 6 0 0 40.12 2.07 2.2474 6 2 0 40.22 8.48 2.2421 3 1 2 40.29 3.90 2.2385 3 7 1 40.93 2.05 2.2048 4 6 1 41.16 11.23 2.1929 2 4 2 41.23 6.53 2.1896 2 8 1 43.67 1.34 2.0726 1 9 1 43.72 9.26 2.0706 4 0 2 43.79 3.64 2.0675 0 6 2 43.80 2.91 2.0668 4 8 0 43.87 1.06 2.0637 0 10 0 43.92 7.05 2.0613 6 2 1 44.63 3.27 2.0301 4 2 2 45.81 2.96 1.9807 2 6 2 45.89 1.01 1.9774 2 10 0 46.63 2.58 1.9480 6 4 1 47.30 2.81 1.9216 4 4 2 47.66 1.05 1.9080 3 9 1 48.46 21.88 1.8785 5 7 1 49.63 2.01 1.8368 7 1 1 49.93 3.90 1.8267 0 8 2 50.98 1.74 1.7914 3 7 2 51.29 2.50 1.7812 7 3 1 53.26 7.25 1.7200 6 0 2 53.27 3.06 1.7197 0 12 0 53.33 7.85 1.7178 6 8 0 53.75 3.24 1.7055 1 1 3 53.82 1.81 1.7033 8 2 0 53.84 1.66 1.7029 1 9 2 54.50 8.47 1.6837 7 5 1 54.77 3.17 1.6760 4 10 1 54.98 1.46 1.6701 5 9 1 55.03 3.23 1.6688 2 12 0 55.82 9.02 1.6471 3 11 1 56.44 1.12 1.6303 6 8 1 57.03 1.05 1.6148 4 8 2 57.09 2.42 1.6133 0 10 2 57.21 3.41 1.6102 3 1 3 58.37 4.36 1.5809 1 5 3 59.09 6.29 1.5634 7 7 1 60.10 1.47 1.5395 4 12 0 60.22 3.16 1.5368 6 10 0 61.67 4.08 1.5041 3 5 3 62.47 1.73 1.4867 5 11 1 62.78 13.44 1.4801 1 7 3 63.07 3.54 1.4741 0 14 0 63.42 1.54 1.4667 7 5 2 63.77 9.59 1.4594 5 1 3 64.62 1.48 1.4424 3 11 2 64.67 4.25 1.4414 3 13 1 64.92 2.80 1.4364 8 0 2 65.19 2.32 1.4311 6 8 2 65.63 3.19 1.4226 8 2 2 66.70 8.43 1.4024 2 12 2 67.58 4.39 1.3862 9 5 1 67.72 3.91 1.3837 8 4 2 67.83 3.73 1.3816 10 0 0 67.98 1.32 1.3790 5 5 3 68.04 1.38 1.3779 6 12 0 69.85 3.65 1.3466 1 13 2 71.28 1.57 1.3230 4 12 2 71.39 1.47 1.3213 6 10 2 71.44 1.17 1.3204 3 9 3 71.63 3.51 1.3175 9 1 2 71.77 1.29 1.3151 7 11 1 72.00 2.34 1.3115 4 14 1 72.06 2.68 1.3106 5 7 3 72.97 1.31 1.2965 9 3 2 73.71 1.68 1.2854 1 1 4 74.65 1.17 1.2714 2 0 4 77.29 2.23 1.2345 2 4 4 79.37 1.24 1.2072 6 14 1 81.79 1.42 1.1775 1 17 1 83.86 1.10 1.1537 5 11 3 84.73 1.04 1.1441 9 9 2 86.25 2.18 1.1277 6 0 4 86.48 1.77 1.1253 6 16 0 87.07 1.56 1.1193 6 14 2 88.74 3.96 1.1024 8 12 2 89.40 1.35 1.0960 0 10 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.