Arfvedsonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110049 Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K American Mineralogist 78 (1993) 733-745 Li: an important component in igneous alkali amphiboles Locality: Questa caldera, New Mexico Sample: A(12) _database_code_amcsd 0001597 CELL PARAMETERS: 9.7850 18.0720 5.3340 90.000 103.590 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) O 0.11110 0.09030 0.20790 1.000 0.720 O 0.12020 0.17200 0.73490 1.000 0.710 O 0.11120 0.00000 0.70760 0.600 1.000 F 0.11120 0.00000 0.70760 0.400 1.000 O 0.36490 0.24880 0.79860 1.000 0.940 O 0.34880 0.12830 0.07980 1.000 0.930 O 0.34050 0.12000 0.57810 1.000 0.910 O 0.33410 0.00000 0.29700 1.000 1.000 Si 0.28010 0.08570 0.29020 0.978 0.460 Al 0.28010 0.08570 0.29020 0.022 0.460 Si 0.28990 0.17050 0.80020 0.978 0.490 Al 0.28990 0.17050 0.80020 0.022 0.490 Mg 0.00000 0.09080 0.50000 0.110 0.600 Fe 0.00000 0.09080 0.50000 0.720 0.600 Mn 0.00000 0.09080 0.50000 0.170 0.600 Fe 0.00000 0.18290 0.00000 0.290 0.570 Fe 0.00000 0.18290 0.00000 0.650 0.570 Ti 0.00000 0.18290 0.00000 0.040 0.570 Zn 0.00000 0.18290 0.00000 0.020 0.570 Li 0.00000 0.00000 0.00000 0.170 0.590 Mg 0.00000 0.00000 0.00000 0.090 0.590 Fe 0.00000 0.00000 0.00000 0.500 0.590 Mn 0.00000 0.00000 0.00000 0.240 0.590 Na 0.00000 0.27700 0.50000 0.935 1.420 Ca 0.00000 0.27700 0.50000 0.040 1.420 Fe 0.00000 0.27700 0.50000 0.025 1.420 K 0.00000 0.50000 0.00000 0.083 9.900 Na 0.00000 0.50000 0.00000 0.203 9.900 K 0.04760 0.50000 0.11470 0.070 2.480 Na 0.04760 0.50000 0.11470 0.171 2.480 H 0.19830 0.00000 0.74720 0.600 1.610 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 10.81436813 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.79 3.00 9.0360 0 2 0 10.51 100.00 8.4166 1 1 0 17.10 1.60 5.1847 0 0 1 17.43 3.16 5.0891 1 3 0 18.13 1.71 4.8919 -1 1 1 19.65 20.76 4.5180 0 4 0 19.74 1.75 4.4970 0 2 1 21.11 2.08 4.2083 2 2 0 21.92 10.76 4.0539 1 1 1 22.20 1.09 4.0045 -2 0 1 22.90 24.32 3.8842 -1 3 1 26.03 18.91 3.4231 1 3 1 26.16 5.95 3.4062 0 4 1 27.23 17.40 3.2755 2 4 0 28.29 1.51 3.1547 2 0 1 28.59 54.21 3.1227 3 1 0 29.79 6.19 2.9993 -3 1 1 29.81 3.08 2.9968 -2 4 1 30.00 18.89 2.9784 2 2 1 30.35 1.64 2.9453 -1 5 1 31.90 5.99 2.8055 3 3 0 32.83 74.57 2.7284 1 5 1 32.99 6.66 2.7150 -3 3 1 34.00 1.98 2.6365 -1 1 2 34.44 24.53 2.6044 0 6 1 34.60 2.05 2.5923 0 0 2 34.68 2.95 2.5866 2 4 1 35.33 42.65 2.5408 -2 0 2 36.05 1.02 2.4916 1 7 0 37.73 1.13 2.3840 -4 0 1 37.74 7.29 2.3834 3 5 0 38.40 1.52 2.3441 1 1 2 38.69 20.67 2.3272 -3 5 1 39.08 8.06 2.3051 -4 2 1 39.14 4.88 2.3017 -1 7 1 39.72 17.16 2.2693 -3 1 2 39.91 1.20 2.2590 0 8 0 40.74 2.50 2.2146 -2 4 2 41.15 7.21 2.1936 1 7 1 41.45 22.29 2.1785 2 6 1 42.13 2.94 2.1450 -1 5 2 42.26 2.03 2.1385 -3 3 2 42.89 1.84 2.1084 -4 4 1 43.51 10.73 2.0800 2 0 2 44.56 10.69 2.0335 3 5 1 45.29 5.77 2.0022 -4 0 2 46.12 2.30 1.9682 -3 7 1 46.71 1.62 1.9446 4 2 1 47.01 3.74 1.9329 -3 5 2 48.10 1.99 1.8918 5 1 0 48.16 2.77 1.8894 2 4 2 48.71 2.83 1.8693 -4 6 1 48.76 5.26 1.8675 -1 9 1 49.81 1.70 1.8305 -4 4 2 50.06 1.19 1.8221 4 4 1 50.30 2.69 1.8139 5 3 0 50.47 1.95 1.8084 1 9 1 50.50 4.27 1.8072 0 10 0 52.82 5.29 1.7331 -5 1 2 53.63 1.66 1.7088 -5 5 1 53.83 1.39 1.7031 0 8 2 53.83 1.59 1.7029 -1 3 3 54.02 2.65 1.6975 0 2 3 54.30 1.82 1.6893 2 10 0 54.34 2.17 1.6882 -2 8 2 55.30 17.71 1.6611 4 6 1 56.16 3.08 1.6377 4 8 0 56.87 7.85 1.6189 1 11 0 57.87 16.24 1.5935 -1 5 3 58.20 2.89 1.5852 6 0 0 58.52 2.95 1.5774 4 0 2 60.89 12.23 1.5213 -2 6 3 60.92 6.34 1.5207 -6 0 2 61.34 4.04 1.5114 5 5 1 61.58 7.01 1.5060 0 12 0 61.90 1.61 1.4990 0 6 3 61.93 1.59 1.4984 -4 8 2 62.16 1.27 1.4933 2 2 3 62.35 1.62 1.4892 4 4 2 63.13 2.70 1.4727 -2 10 2 63.61 3.19 1.4628 -1 7 3 63.81 3.02 1.4587 3 11 0 64.46 1.14 1.4455 -3 11 1 64.67 2.43 1.4413 -6 4 2 64.80 1.69 1.4388 4 10 0 65.18 17.52 1.4312 -6 6 1 67.81 8.88 1.3821 5 1 2 68.82 1.24 1.3642 2 10 2 69.36 2.68 1.3549 7 1 0 69.36 3.21 1.3549 -5 5 3 69.48 3.39 1.3528 2 6 3 69.60 1.25 1.3508 5 3 2 69.70 4.71 1.3491 1 11 2 70.58 2.26 1.3344 -3 11 2 71.27 4.71 1.3231 -1 1 4 72.53 5.43 1.3033 -7 5 1 72.60 2.74 1.3022 0 12 2 72.99 2.74 1.2962 0 0 4 73.03 10.19 1.2955 -2 12 2 73.52 1.11 1.2882 6 6 1 74.59 1.06 1.2723 4 12 0 74.72 3.40 1.2704 -4 0 4 80.36 5.40 1.1949 -5 11 2 80.85 1.25 1.1889 8 0 0 81.41 2.57 1.1821 2 0 4 82.99 1.19 1.1636 -6 10 2 88.01 1.82 1.1096 3 1 4 88.62 1.03 1.1036 0 16 1 89.28 1.09 1.0972 5 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.