Meurigite-K Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130084 Kampf A R, Pluth J J, Chen Y S American Mineralogist 92 (2007) 1518-1524 The crystal structure of meurigite Locality: Santa Rita mine, Grant County, New Mexico _database_code_amcsd 0004452 CELL PARAMETERS: 28.8350 5.1848 19.4840 90.000 106.983 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) K 0.43090 0.54800 0.47430 0.264 7.580 K 0.41500 0.30800 0.46870 0.198 4.816 Fe 0.32570 0.41570 0.63740 0.937 0.497 Fe 0.37850 0.38370 0.78940 0.938 0.513 Fe 0.45040 0.13960 0.66880 0.922 0.458 Fe 0.29520 0.18750 0.87940 0.929 0.553 P 0.35140 0.93140 0.54940 0.927 0.403 P 0.30530 0.90430 0.73900 0.866 0.316 P 0.44590 0.88150 0.81190 0.934 0.458 O 0.40410 0.99780 0.58460 1.000 1.113 O 0.34180 0.93910 0.46880 1.000 1.003 O 0.31820 0.12430 0.57200 1.000 1.200 O 0.33980 0.65840 0.57100 1.000 1.232 O 0.25290 0.87700 0.69570 1.000 1.216 O 0.31170 0.91290 0.82040 1.000 1.153 O 0.32690 0.16190 0.71990 1.000 0.932 O 0.33470 0.66910 0.72370 1.000 0.829 O 0.41670 0.09660 0.83280 1.000 1.271 O 0.42990 0.62210 0.83440 1.000 1.098 O 0.43790 0.87380 0.73120 1.000 1.058 O 0.50040 0.91520 0.64730 1.000 1.216 OH 0.25640 0.46810 0.60520 1.000 1.153 OH 0.39910 0.38340 0.69200 1.000 0.869 OH 0.34440 0.42400 0.86090 1.000 0.869 OH 0.50000 0.30410 0.75000 1.000 1.003 Wa 0.27700 0.47440 0.94500 1.000 1.224 Wa 0.46360 0.42870 0.60620 1.000 1.982 Wa 0.45150 0.98700 0.48070 0.903 13.186 Wa 0.50000 0.00000 0.50000 0.629 8.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 25 +/- 4 +/- 17 MAX. ABS. INTENSITY / VOLUME**2: 11.40442301 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.41 20.48 13.7888 2 0 0 9.49 100.00 9.3172 0 0 2 9.78 17.34 9.0418 -2 0 2 12.84 6.19 6.8944 4 0 0 17.40 12.67 5.0955 1 1 0 17.80 1.75 4.9840 -1 1 1 18.10 1.46 4.8998 4 0 2 18.30 27.23 4.8489 1 1 1 19.05 5.66 4.6586 0 0 4 19.31 6.94 4.5963 6 0 0 19.40 4.89 4.5758 -1 1 2 19.64 5.82 4.5209 -4 0 4 19.66 8.25 4.5160 3 1 0 20.59 23.56 4.3140 -3 1 2 20.89 18.79 4.2515 3 1 1 21.85 9.95 4.0679 2 0 4 22.62 19.94 3.9308 -3 1 3 22.87 6.33 3.8886 -6 0 4 23.07 5.46 3.8556 -5 1 1 23.55 4.49 3.7777 5 1 0 23.58 7.42 3.7736 -5 1 2 24.78 8.47 3.5925 -8 0 2 24.97 2.83 3.5661 5 1 1 25.02 3.98 3.5592 -5 1 3 25.42 2.20 3.5035 -3 1 4 25.85 19.24 3.4472 8 0 0 26.01 1.28 3.4263 3 1 3 26.02 2.31 3.4238 4 0 4 26.61 2.25 3.3494 1 1 4 27.19 4.10 3.2799 5 1 2 27.26 11.62 3.2719 -5 1 4 27.32 2.08 3.2642 -8 0 4 27.53 11.93 3.2394 -2 0 6 27.72 1.53 3.2183 -7 1 1 27.82 44.59 3.2069 -7 1 2 27.85 5.21 3.2037 -4 0 6 28.45 4.74 3.1368 7 1 0 28.75 1.34 3.1057 0 0 6 28.75 41.26 3.1057 -7 1 3 28.79 4.18 3.1012 -3 1 5 28.91 1.79 3.0886 -1 1 5 29.46 4.66 3.0324 3 1 4 29.64 2.56 3.0139 -6 0 6 30.04 17.01 2.9743 5 1 3 30.16 15.03 2.9636 8 0 2 30.47 3.13 2.9336 1 1 5 31.07 6.04 2.8784 6 0 4 31.32 3.49 2.8563 2 0 6 32.16 2.27 2.7835 7 1 2 32.47 1.46 2.7578 10 0 0 32.56 12.43 2.7498 -3 1 6 32.76 8.75 2.7334 -7 1 5 32.96 5.16 2.7179 -1 1 6 33.29 2.95 2.6911 3 1 5 33.40 2.57 2.6829 -9 1 3 33.98 2.57 2.6379 9 1 0 34.60 4.48 2.5924 0 2 0 34.63 18.60 2.5906 1 1 6 34.94 7.20 2.5677 0 2 1 34.98 1.61 2.5650 4 0 6 35.55 1.23 2.5253 9 1 1 35.83 1.06 2.5062 2 2 1 35.96 2.27 2.4975 0 2 2 36.58 2.40 2.4563 10 0 2 36.64 3.17 2.4524 -3 1 7 36.68 1.90 2.4499 8 0 4 36.86 2.86 2.4385 -4 2 1 36.95 1.35 2.4327 -4 0 8 37.12 3.44 2.4219 5 1 5 37.22 4.12 2.4154 -5 1 7 37.32 1.15 2.4094 -4 2 2 37.42 1.51 2.4032 -2 2 3 37.42 1.83 2.4031 3 1 6 37.60 2.78 2.3924 0 2 3 37.70 2.85 2.3858 9 1 2 37.86 7.24 2.3764 -6 0 8 38.41 2.91 2.3433 -4 2 3 38.70 3.52 2.3268 -11 1 3 39.38 1.34 2.2879 -2 2 4 39.88 1.05 2.2604 -8 0 8 41.14 1.33 2.1939 2 0 8 41.26 2.95 2.1879 -5 1 8 42.89 5.85 2.1084 -11 1 6 43.07 1.47 2.1001 -8 2 1 43.21 1.26 2.0936 12 0 2 43.47 12.92 2.0819 9 1 4 43.55 3.82 2.0780 -8 2 3 43.59 2.18 2.0765 1 1 8 43.79 9.85 2.0671 -6 2 5 44.13 6.17 2.0523 2 2 5 44.51 2.29 2.0354 -13 1 2 44.61 1.03 2.0311 8 0 6 44.62 1.39 2.0306 6 2 3 44.78 1.33 2.0241 -2 2 6 44.86 3.08 2.0206 8 2 1 44.98 2.12 2.0155 -9 1 8 44.98 1.34 2.0153 -4 2 6 45.33 1.02 2.0005 -11 1 7 45.50 1.07 1.9936 -3 1 9 46.19 5.98 1.9654 -6 2 6 46.27 1.23 1.9622 11 1 3 46.44 1.48 1.9553 -1 1 9 46.94 4.49 1.9358 9 1 5 46.96 2.46 1.9349 -6 0 10 47.88 3.23 1.8998 13 1 1 48.07 3.18 1.8928 -4 2 7 48.33 1.36 1.8831 1 1 9 48.71 1.70 1.8694 8 2 3 49.94 1.28 1.8262 5 1 8 50.05 2.18 1.8225 14 0 2 50.06 1.17 1.8220 -5 1 10 50.25 1.30 1.8156 10 0 6 50.47 1.61 1.8084 -10 0 10 50.65 1.58 1.8024 -15 1 3 50.92 4.34 1.7934 -15 1 4 50.93 6.90 1.7929 2 2 7 51.25 2.13 1.7826 -14 0 8 51.61 2.00 1.7709 -15 1 1 52.54 2.23 1.7417 -12 2 4 52.83 2.12 1.7328 15 1 0 53.45 3.28 1.7142 10 2 3 53.50 1.06 1.7127 -12 0 10 53.59 4.17 1.7101 -12 2 5 54.38 1.03 1.6871 -3 3 2 54.65 2.03 1.6796 5 1 9 54.67 1.54 1.6788 -15 1 7 54.81 1.03 1.6750 9 1 7 55.08 2.79 1.6674 -13 1 9 55.55 1.33 1.6542 1 3 3 55.74 1.96 1.6492 5 3 0 55.77 14.50 1.6484 -6 2 9 56.44 1.81 1.6303 5 3 1 57.11 7.45 1.6127 16 0 2 57.13 1.88 1.6123 -14 2 3 57.28 1.72 1.6084 -14 0 10 57.29 1.64 1.6080 1 3 4 57.77 3.93 1.5958 -2 0 12 57.89 2.20 1.5928 -7 3 1 58.28 6.39 1.5832 -14 2 5 58.30 2.93 1.5827 7 3 0 58.46 4.31 1.5786 -7 3 3 58.56 1.63 1.5764 -1 3 5 58.76 3.47 1.5714 12 2 3 58.90 2.43 1.5680 10 0 8 58.91 3.12 1.5676 -18 0 6 59.14 1.89 1.5622 -10 0 12 59.15 4.58 1.5620 9 1 8 59.21 1.27 1.5605 5 3 3 59.63 1.93 1.5506 -6 2 10 60.37 1.29 1.5334 14 2 1 61.12 2.11 1.5162 3 1 11 61.48 2.36 1.5083 -1 1 12 61.92 2.03 1.4985 -13 1 11 62.02 1.06 1.4964 1 3 6 62.18 1.03 1.4930 -12 2 9 62.80 2.77 1.4796 -16 2 3 63.75 1.16 1.4599 7 1 10 63.75 1.07 1.4598 -1 3 7 63.78 3.88 1.4593 -6 2 11 63.82 2.63 1.4585 -16 2 1 64.06 2.46 1.4536 9 3 2 64.26 1.16 1.4496 -19 1 5 64.44 1.77 1.4459 12 2 5 65.34 1.24 1.4281 4 0 12 65.83 1.98 1.4188 -13 1 12 65.91 1.02 1.4172 9 3 3 66.34 1.10 1.4091 -3 3 8 66.76 1.02 1.4011 -18 0 10 67.74 1.03 1.3834 -11 3 6 68.10 1.80 1.3768 2 2 11 69.70 1.13 1.3491 16 0 6 70.82 1.83 1.3305 -9 1 14 71.91 1.51 1.3130 3 1 13 72.99 1.81 1.2962 0 4 0 73.15 1.22 1.2938 -4 2 13 73.20 2.00 1.2931 0 4 1 73.81 1.84 1.2838 0 4 2 74.50 2.44 1.2736 -15 3 1 74.54 1.81 1.2730 21 1 0 77.64 1.15 1.2298 3 1 14 79.73 1.60 1.2027 8 4 1 80.83 1.15 1.1891 6 0 14 80.99 1.17 1.1872 -23 1 1 83.86 1.65 1.1537 -22 2 7 84.03 1.15 1.1518 10 2 11 85.28 1.07 1.1380 -20 0 14 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.