Janhaugite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070731 Annehed H, Falth L, Raade G Neues Jahrbuch fur Mineralogie, Monatshefte 1985 (1985) 7-18 The crystal structure of janhaugite, a sorosilicate of the cuspidine family CELL PARAMETERS: 10.6680 9.7570 13.9280 90.000 107.926 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Na 0.92608 0.38034 0.91956 0.770 1.310 Ca 0.92608 0.38034 0.91956 0.230 1.310 Na 0.42284 0.12673 0.91966 0.610 1.200 Ca 0.42284 0.12673 0.91966 0.390 1.200 Na 0.29939 0.39244 0.01066 0.930 1.470 Ca 0.29939 0.39244 0.01066 0.070 1.470 Mn 0.43416 0.13044 0.17820 1.000 0.820 Mn 0.93431 0.36718 0.17828 1.000 0.760 Mn 0.80467 0.11387 0.01388 1.000 0.710 Ti 0.28644 0.39150 0.26893 0.670 0.540 Zr 0.28644 0.39150 0.26893 0.330 0.540 Ti 0.78494 0.09995 0.25178 0.730 0.550 Zr 0.78494 0.09995 0.25178 0.270 0.550 Si 0.61418 0.33518 0.08361 1.000 0.500 Si 0.61745 0.34379 0.85744 1.000 0.490 Si 0.12030 0.16410 0.08415 1.000 0.480 Si 0.12296 0.16929 0.85875 1.000 0.490 O 0.48077 0.25581 0.07455 1.000 1.200 O 0.63179 0.47969 0.14252 1.000 1.030 O 0.74610 0.24110 0.13268 1.000 0.770 O 0.61601 0.37785 0.97125 1.000 1.120 O 0.47624 0.28062 0.79429 1.000 0.870 O 0.65306 0.48707 0.81486 1.000 1.040 O 0.74046 0.23781 0.87128 1.000 0.810 O 0.97875 0.22744 0.07405 1.000 1.000 O 0.13266 0.00057 0.10255 1.000 0.790 O 0.24100 0.24030 0.16760 1.000 0.840 O 0.15265 0.19609 0.97925 1.000 1.070 O 0.97556 0.22119 0.80120 1.000 0.820 O 0.15450 0.00877 0.84882 1.000 0.840 O 0.23726 0.25860 0.83407 1.000 0.920 O 0.62204 0.02055 0.22061 1.000 1.140 O 0.37951 0.96893 0.26654 1.000 1.070 F 0.61060 0.99709 0.44699 1.000 1.460 F 0.38088 0.98353 0.04157 1.000 1.540 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 8 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 21.10954184 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.26 6.28 7.8571 0 1 1 12.93 2.96 6.8473 -1 1 1 13.36 10.50 6.6259 0 0 2 15.47 1.45 5.7277 1 1 1 16.17 1.40 5.4815 0 1 2 16.30 4.21 5.4365 -1 1 2 17.47 5.12 5.0751 2 0 0 19.01 1.30 4.6691 -2 1 1 19.72 1.30 4.5024 2 1 0 20.20 1.92 4.3970 1 2 0 22.52 1.22 3.9474 2 1 1 22.73 12.33 3.9119 -1 2 2 25.17 3.20 3.5375 2 0 2 25.32 1.91 3.5171 2 2 0 26.81 6.10 3.3257 2 1 2 27.22 1.53 3.2760 -3 1 2 27.91 26.10 3.1966 3 1 0 28.77 1.39 3.1034 -2 1 4 28.83 1.21 3.0972 1 3 0 28.98 1.78 3.0807 -1 3 1 30.70 2.13 2.9127 -1 3 2 31.57 100.00 2.8338 -1 2 4 32.20 64.78 2.7802 3 2 0 32.67 5.67 2.7407 0 2 4 32.70 6.41 2.7383 2 3 0 32.95 5.75 2.7182 -2 2 4 33.06 1.67 2.7099 1 3 2 33.71 3.87 2.6587 -4 0 2 35.37 1.09 2.5375 4 0 0 36.68 9.38 2.4504 2 0 4 36.85 5.13 2.4392 0 4 0 37.43 10.42 2.4029 -4 0 4 37.86 4.24 2.3766 2 1 4 37.94 6.70 2.3717 1 4 0 38.14 1.02 2.3596 3 2 2 38.39 5.69 2.3447 3 3 0 38.59 2.24 2.3332 -4 1 4 38.80 3.36 2.3209 0 3 4 39.04 3.44 2.3072 -2 3 4 40.05 4.97 2.2512 4 2 0 41.75 5.41 2.1634 1 3 4 42.20 5.53 2.1413 -3 3 4 42.77 2.39 2.1142 -1 3 5 43.32 1.40 2.0885 -1 2 6 45.33 1.40 2.0006 4 3 0 45.65 6.23 1.9875 5 1 0 45.88 1.29 1.9779 -3 3 5 46.22 2.55 1.9643 0 4 4 46.40 6.62 1.9571 2 3 4 47.02 4.06 1.9327 -4 3 4 47.44 1.53 1.9163 1 5 0 48.80 2.19 1.8660 1 4 4 49.20 2.07 1.8518 -3 4 4 50.80 1.19 1.7974 -4 4 2 52.58 16.71 1.7407 -2 0 8 52.58 2.35 1.7404 4 1 4 52.97 13.45 1.7287 2 4 4 53.15 1.26 1.7234 1 3 6 53.49 1.04 1.7131 2 2 6 53.53 2.76 1.7119 -6 1 4 53.53 15.30 1.7118 -4 4 4 54.22 1.01 1.6917 6 0 0 54.27 1.69 1.6904 3 5 0 54.85 1.56 1.6737 -2 4 6 55.10 8.42 1.6668 6 1 0 56.89 5.65 1.6185 1 5 4 57.25 6.25 1.6092 -3 5 4 59.49 2.17 1.5538 4 3 4 59.71 1.20 1.5486 2 6 0 60.05 2.49 1.5407 1 1 8 60.36 2.45 1.5335 -6 3 4 60.67 2.08 1.5265 2 5 4 61.18 6.77 1.5148 5 1 4 61.82 3.12 1.5008 6 3 0 62.21 5.26 1.4922 -7 1 4 62.50 5.10 1.4861 1 2 8 63.10 3.33 1.4734 -1 6 4 63.47 4.22 1.4657 3 6 0 63.51 6.97 1.4648 -5 2 8 63.75 1.40 1.4598 0 6 4 63.92 1.27 1.4564 -2 6 4 64.61 1.33 1.4425 -7 2 4 65.93 3.60 1.4169 -2 4 8 66.46 1.97 1.4068 5 5 0 66.46 1.65 1.4068 1 3 8 66.48 1.05 1.4064 -1 4 8 67.54 1.58 1.3870 5 3 4 68.51 1.08 1.3696 -7 3 4 68.54 4.19 1.3691 4 6 0 70.00 3.37 1.3441 2 7 0 72.92 1.22 1.2972 -7 1 8 78.41 1.50 1.2196 0 8 0 78.72 2.30 1.2156 4 1 8 79.08 1.36 1.2109 1 8 0 80.56 1.58 1.1925 -8 1 8 81.42 1.04 1.1820 8 3 0 84.50 1.03 1.1465 4 3 8 86.14 2.42 1.1289 -3 2 12 86.43 1.07 1.1259 1 6 8 86.45 1.28 1.1256 8 4 0 87.34 1.50 1.1165 -5 6 8 89.53 1.53 1.0948 4 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.