Griphite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050618 Rinaldi R Bulletin de Mineralogie 101 (1978) 543-547 The crystal structure of griphite, a complex phosphate, not a garnetoid Locality: Alberes, East Pyrenees, France CELL PARAMETERS: 12.2460 12.2460 12.2460 90.000 90.000 90.000 SPACE GROUP: Pa3 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00570 0.12080 0.26080 0.590 1.333 Na 0.00570 0.12080 0.26080 0.170 1.333 Li 0.00570 0.12080 0.26080 0.090 1.333 Ca 0.00570 0.12080 0.26080 0.070 1.333 Fe 0.00570 0.12080 0.26080 0.050 1.333 Mg 0.00570 0.12080 0.26080 0.010 1.333 Ca 0.00000 0.00000 0.00000 1.000 1.025 Fe 0.50000 0.50000 0.50000 0.700 1.050 Al 0.50000 0.50000 0.50000 0.130 1.050 Al 0.28460 0.28460 0.28460 0.960 0.920 Fe 0.28460 0.28460 0.28460 0.040 0.920 P 0.04030 0.35970 0.23520 0.970 0.960 O 0.12760 0.28480 0.28760 0.970 1.170 OH 0.12760 0.28480 0.28760 0.030 1.170 O 0.27850 0.44030 0.28280 0.970 1.260 OH 0.27850 0.44030 0.28280 0.030 1.260 O 0.07820 0.39590 0.11940 0.970 1.420 OH 0.07820 0.39590 0.11940 0.030 1.420 O 0.01710 0.46040 0.30360 0.970 1.560 OH 0.01710 0.46040 0.30360 0.030 1.560 F 0.11450 0.11450 0.11450 0.800 1.860 OH 0.11450 0.11450 0.11450 0.200 1.860 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 22.76476124 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.52 4.05 7.0702 1 1 1 16.18 1.52 5.4766 2 1 0 24.10 1.50 3.6923 3 1 1 25.19 2.75 3.5351 2 2 2 26.24 8.29 3.3964 3 0 2 29.17 25.87 3.0615 4 0 0 30.09 19.77 2.9701 4 1 0 30.09 2.59 2.9701 3 2 2 30.98 3.87 2.8864 4 1 1 31.85 1.12 2.8094 3 3 1 32.70 33.84 2.7383 4 0 2 32.70 66.16 2.7383 4 2 0 33.53 4.28 2.6723 4 1 2 34.35 1.05 2.6109 3 3 2 35.93 24.63 2.4997 4 2 2 37.45 1.23 2.4016 4 3 1 37.45 1.15 2.4016 4 1 3 38.19 6.67 2.3567 3 3 3 39.63 5.11 2.2740 4 3 2 39.63 10.11 2.2740 4 2 3 40.34 1.70 2.2358 5 2 1 41.72 1.60 2.1648 4 4 0 42.40 2.56 2.1318 5 2 2 43.73 1.93 2.0700 5 1 3 44.38 5.98 2.0410 4 4 2 45.03 10.09 2.0132 6 1 0 47.54 1.82 1.9125 6 2 1 49.96 4.70 1.8255 6 3 0 49.96 3.27 1.8255 5 2 4 51.72 8.69 1.7676 4 4 4 52.29 3.19 1.7494 6 2 3 54.00 14.05 1.6982 6 0 4 54.56 1.25 1.6821 6 1 4 55.11 1.73 1.6665 7 1 2 55.11 1.40 1.6665 6 3 3 56.21 9.63 1.6364 6 4 2 56.21 11.68 1.6364 6 2 4 57.83 2.28 1.5943 7 1 3 57.83 1.03 1.5943 5 5 3 58.90 3.30 1.5679 6 3 4 58.90 2.46 1.5679 6 5 0 59.43 3.33 1.5552 6 5 1 60.48 6.30 1.5308 8 0 0 61.00 1.62 1.5189 6 2 5 62.55 1.29 1.4850 8 0 2 63.06 3.72 1.4742 8 2 1 63.06 4.92 1.4742 8 1 2 65.08 1.04 1.4333 6 6 1 67.06 2.87 1.3956 6 5 4 68.54 2.05 1.3691 8 4 0 69.99 1.45 1.3442 7 5 3 70.48 4.32 1.3361 8 4 2 70.48 1.33 1.3361 8 2 4 71.44 5.11 1.3205 7 1 6 72.39 1.60 1.3054 6 6 4 72.87 2.00 1.2981 8 3 4 78.49 1.07 1.2185 8 1 6 82.64 1.10 1.1676 7 5 6 85.38 2.81 1.1370 8 4 6 85.83 1.14 1.1321 8 2 7 87.20 2.29 1.1179 10 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.