Holdenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150129 Moore P B, Araki T American Mineralogist 62 (1977) 513-521 Holdenite, a novel cubic close-packed structure Note: sample is from the zinc mines at Franklin, Sussex County, New Jersey, USA _database_code_amcsd 0000581 CELL PARAMETERS: 12.0080 31.5430 8.6989 90.000 90.000 90.000 SPACE GROUP: Abma ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.10108 0.00000 0.530 0.910 Mg 0.00000 0.10108 0.00000 0.470 0.910 Mn 0.00000 0.20493 0.00000 0.920 0.790 Mg 0.00000 0.20493 0.00000 0.080 0.790 Mn 0.37353 0.05137 0.21843 1.000 1.000 Mn 0.36297 0.15428 0.22701 1.000 0.840 Si 0.25000 0.25000 0.11500 1.000 0.590 As 0.12961 0.10069 0.36268 1.000 0.640 Zn 0.11099 0.00000 0.10650 1.000 0.860 Zn 0.13073 0.20123 0.36797 1.000 0.790 O 0.13470 0.25220 0.01420 1.000 0.800 O 0.24730 0.20630 0.21580 1.000 0.890 O 0.13460 0.14530 0.47420 1.000 0.890 O 0.13820 0.05780 0.47610 1.000 1.040 O 0.00890 0.10100 0.25970 1.000 0.990 O 0.23960 0.10200 0.24050 1.000 0.950 OH 0.25170 0.00000 0.22760 1.000 0.890 OH -0.00340 0.00000 0.27000 1.000 0.950 OH 0.11730 0.05110 -0.02470 1.000 0.920 OH 0.11130 0.15020 -0.03080 1.000 0.910 OH -0.00920 0.20220 0.25520 1.000 0.890 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 28 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 19.75390638 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.60 2.83 15.7715 0 2 0 11.22 4.70 7.8857 0 4 0 14.75 1.43 6.0040 2 0 0 15.14 16.96 5.8525 1 3 1 15.79 1.08 5.6112 2 2 0 16.86 1.01 5.2572 0 6 0 18.88 10.05 4.6996 1 5 1 19.85 2.49 4.4721 2 3 1 20.42 9.91 4.3495 0 0 2 21.19 3.67 4.1929 0 2 2 21.73 7.11 4.0895 1 0 2 22.46 6.73 3.9585 1 2 2 23.36 3.18 3.8085 0 4 2 23.44 5.91 3.7960 1 7 1 24.52 28.23 3.6303 1 4 2 24.65 26.23 3.6123 3 1 1 25.28 7.23 3.5223 2 0 2 25.93 37.66 3.4365 3 3 1 26.60 2.19 3.3512 0 6 2 26.78 12.06 3.3296 2 7 1 27.64 6.21 3.2279 1 6 2 28.29 10.53 3.1543 0 10 0 29.76 41.25 3.0020 4 0 0 30.31 4.89 2.9491 4 2 0 30.35 9.79 2.9453 3 0 2 30.60 1.56 2.9212 0 8 2 30.89 15.65 2.8952 3 2 2 31.29 100.00 2.8587 2 9 1 31.52 6.97 2.8384 1 8 2 31.62 20.47 2.8298 3 7 1 31.88 25.54 2.8074 1 1 3 31.90 2.84 2.8056 4 4 0 32.05 6.38 2.7924 2 10 0 32.45 4.62 2.7591 3 4 2 32.90 17.26 2.7225 1 3 3 34.40 1.95 2.6069 4 6 0 34.47 45.80 2.6022 2 1 3 34.92 9.41 2.5695 3 6 2 35.42 2.72 2.5341 2 3 3 35.58 4.28 2.5234 3 9 1 35.96 20.34 2.4976 1 10 2 36.22 41.62 2.4802 2 11 1 37.27 2.99 2.4126 2 5 3 37.45 1.73 2.4013 4 7 1 37.64 11.55 2.3896 1 7 3 37.66 1.87 2.3885 4 8 0 38.14 1.14 2.3596 3 8 2 38.17 2.82 2.3576 4 4 2 38.30 2.66 2.3498 2 10 2 38.44 2.75 2.3417 3 1 3 39.01 1.00 2.3088 5 1 1 39.27 1.34 2.2941 1 13 1 39.31 1.76 2.2918 3 3 3 39.87 9.44 2.2608 5 3 1 40.81 5.18 2.2112 1 12 2 41.10 2.14 2.1964 1 9 3 41.46 5.61 2.1780 2 13 1 41.52 1.76 2.1747 0 0 4 41.53 6.69 2.1746 4 10 0 41.97 5.87 2.1527 3 10 2 42.23 1.63 2.1399 1 0 4 43.02 7.11 2.1024 5 0 2 43.21 4.10 2.0936 4 8 2 43.42 3.80 2.0840 5 2 2 43.97 8.99 2.0592 5 7 1 44.30 1.81 2.0447 2 0 4 44.69 1.49 2.0278 2 2 4 44.91 4.14 2.0183 3 13 1 45.31 1.36 2.0013 6 0 0 45.99 1.04 1.9734 1 14 2 46.29 1.60 1.9611 3 12 2 46.52 3.22 1.9521 5 6 2 46.70 1.94 1.9450 4 10 2 46.83 1.33 1.9398 6 4 0 47.04 1.61 1.9316 5 9 1 48.40 1.49 1.8808 1 8 4 49.57 4.20 1.8389 1 13 3 51.01 11.87 1.7904 0 10 4 51.02 1.52 1.7899 6 7 1 51.04 2.09 1.7895 3 14 2 51.46 2.71 1.7759 1 16 2 51.61 4.41 1.7709 1 10 4 51.92 5.17 1.7612 4 0 4 52.29 8.95 1.7494 5 10 2 53.32 1.05 1.7182 6 6 2 53.40 1.34 1.7158 2 10 4 53.79 15.37 1.7043 6 9 1 53.96 2.95 1.6992 1 3 5 54.61 1.07 1.6806 7 1 1 54.81 3.20 1.6749 5 13 1 55.03 8.80 1.6687 2 1 5 55.61 3.15 1.6527 3 17 1 55.70 3.56 1.6503 2 3 5 55.90 9.78 1.6449 6 1 3 56.14 1.07 1.6383 3 16 2 56.29 6.37 1.6344 3 10 4 57.11 8.01 1.6127 6 11 1 57.28 3.05 1.6084 1 7 5 57.86 1.34 1.5935 3 1 5 58.52 21.07 1.5771 0 20 0 58.60 1.30 1.5752 6 10 2 59.06 2.46 1.5641 7 4 2 59.66 2.70 1.5498 1 17 3 59.85 1.76 1.5454 1 9 5 60.04 1.57 1.5410 4 16 2 60.18 63.41 1.5377 4 10 4 60.95 1.26 1.5202 6 13 1 61.39 2.23 1.5102 3 19 1 61.58 1.46 1.5060 3 18 2 61.81 16.43 1.5010 8 0 0 63.03 3.61 1.4748 7 1 3 63.64 2.31 1.4621 7 3 3 64.34 1.87 1.4478 5 17 1 64.77 2.48 1.4394 1 0 6 64.97 4.15 1.4354 5 10 4 65.22 4.65 1.4305 1 19 3 66.60 1.93 1.4042 1 13 5 66.66 1.82 1.4030 7 7 3 66.77 6.96 1.4010 2 19 3 67.03 5.84 1.3962 4 20 0 67.35 1.38 1.3904 3 20 2 69.03 1.08 1.3606 7 9 3 69.33 1.44 1.3554 8 10 0 71.98 3.56 1.3119 6 1 5 72.13 1.18 1.3095 1 10 6 72.56 1.30 1.3029 6 3 5 72.61 2.10 1.3020 2 21 3 73.46 1.05 1.2891 3 22 2 73.85 1.26 1.2832 3 23 1 75.30 1.39 1.2621 1 17 5 75.33 2.06 1.2616 5 20 2 75.36 1.06 1.2613 7 13 3 76.80 1.77 1.2412 5 0 6 81.37 3.49 1.1825 9 10 2 81.78 3.44 1.1777 2 19 5 82.01 2.34 1.1749 4 20 4 82.50 3.30 1.1693 6 19 3 83.88 1.47 1.1535 7 9 5 84.17 3.39 1.1503 8 10 4 84.40 1.05 1.1477 3 7 7 86.38 3.00 1.1264 10 9 1 86.60 3.19 1.1241 3 9 7 87.28 1.11 1.1171 2 21 5 87.99 1.15 1.1099 6 21 3 88.10 1.39 1.1087 10 1 3 88.66 2.29 1.1032 7 19 3 89.12 1.83 1.0987 10 11 1 89.34 1.50 1.0966 3 11 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.