Lulzacite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110147 Leone P, Palvadeau P, Moelo Y Chimie de l'etat Solide et Cristallochimie 3 (2000) 301-308 Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10 Locality: Saint-Aubin-des-Chateaux, Loire-Atlantique, France _database_code_amcsd 0018779 CELL PARAMETERS: 5.4430 9.1030 9.7520 108.640 91.831 97.420 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Sr 0.14060 0.77380 0.41720 0.960 1.579 Ba 0.14060 0.77380 0.41720 0.040 1.579 P 0.22920 0.67790 0.76430 0.980 0.790 V 0.22920 0.67790 0.76430 0.020 0.790 P 0.30180 0.07170 0.72470 0.980 0.790 V 0.30180 0.07170 0.72470 0.020 0.790 Fe 0.00000 0.50000 0.00000 1.000 0.947 Al 0.50000 0.00000 0.00000 1.000 0.790 Al 0.50000 0.50000 0.50000 1.000 0.790 Fe 0.23780 0.12520 0.27470 0.630 0.395 Mg 0.23780 0.12520 0.27470 0.370 0.395 Al 0.51260 0.57500 0.16270 1.000 0.790 O 0.54080 0.20150 0.15990 1.000 0.869 O 0.22100 0.53540 0.82030 1.000 0.947 O 0.01260 0.25860 0.20340 1.000 1.105 O 0.26180 0.62330 0.59950 1.000 1.105 O 0.68710 0.76070 0.28420 1.000 0.947 O 0.05140 0.98480 0.64450 1.000 1.026 O 0.49010 0.00680 0.35390 1.000 1.263 O 0.31070 0.08300 0.88550 1.000 0.947 O 0.23470 0.67500 0.14690 1.000 0.947 O 0.36670 0.52160 0.32100 1.000 0.790 O 0.33700 0.40040 0.00940 1.000 0.869 O 0.22250 0.94500 0.08420 1.000 1.026 O 0.71700 0.68200 0.53220 1.000 0.395 H 0.23500 0.45000 0.28000 1.000 1.000 H 0.09600 0.91500 0.03000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 5.975222293 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.60 19.72 9.2124 0 0 1 11.61 16.03 7.6228 0 -1 1 16.30 10.33 5.4366 0 1 1 18.15 11.50 4.8874 -1 1 0 18.44 9.39 4.8127 -1 0 1 19.27 13.40 4.6062 0 0 2 19.55 7.09 4.5417 1 -1 1 19.74 5.17 4.4963 1 0 1 19.88 52.70 4.4671 0 -2 1 20.77 11.49 4.2763 1 1 0 20.82 1.80 4.2658 0 2 0 20.83 24.82 4.2636 -1 -1 1 23.34 12.68 3.8114 0 -2 2 24.37 20.94 3.6522 1 -2 1 24.44 1.71 3.6423 -1 0 2 24.79 41.77 3.5922 0 1 2 24.85 49.68 3.5823 1 1 1 25.01 19.63 3.5600 -1 -1 2 25.72 43.50 3.4635 0 2 1 26.43 29.11 3.3718 1 0 2 27.47 8.43 3.2470 0 -1 3 27.76 100.00 3.2134 1 -2 2 28.12 28.57 3.1729 -1 1 2 28.50 11.44 3.1322 -1 2 1 28.55 73.04 3.1264 1 2 0 29.08 1.44 3.0708 0 0 3 29.62 57.80 3.0164 -1 -2 2 29.78 3.48 2.9998 0 -2 3 31.10 49.34 2.8759 0 -3 2 31.60 1.81 2.8315 1 1 2 31.81 62.88 2.8131 -1 -1 3 32.14 7.67 2.7849 1 -3 1 32.42 29.38 2.7613 -1 0 3 32.58 14.62 2.7482 1 -1 3 32.77 25.11 2.7332 1 2 1 33.30 12.77 2.6905 2 0 0 33.40 8.26 2.6827 -1 3 0 33.41 42.34 2.6816 -2 1 0 33.81 16.67 2.6511 1 -2 3 33.84 51.64 2.6491 1 -3 2 33.98 19.94 2.6385 -2 0 1 34.11 55.10 2.6286 0 1 3 34.60 1.07 2.5922 2 -1 1 34.63 8.37 2.5902 -1 -2 3 34.75 5.56 2.5818 1 0 3 34.83 8.20 2.5755 -1 2 2 35.09 9.83 2.5576 -2 1 1 35.32 4.55 2.5409 0 -3 3 36.14 4.72 2.4854 -2 -1 1 36.32 5.95 2.4737 -1 1 3 36.46 8.10 2.4640 2 1 0 36.78 5.44 2.4437 -2 2 0 36.94 15.61 2.4332 2 -2 1 37.35 36.53 2.4075 -1 3 1 37.37 4.07 2.4063 -2 0 2 37.85 4.30 2.3770 0 -2 4 37.90 19.66 2.3741 1 3 0 38.14 1.30 2.3595 1 -3 3 38.47 6.04 2.3400 -2 -1 2 39.11 1.65 2.3031 0 0 4 39.16 10.92 2.3003 1 2 2 39.23 10.71 2.2967 -2 2 1 39.30 4.05 2.2927 -2 1 2 39.39 20.70 2.2876 2 1 1 40.06 13.29 2.2508 -1 -1 4 40.11 17.34 2.2482 2 0 2 40.16 1.11 2.2454 0 -4 1 41.13 5.28 2.1947 -2 -2 1 41.35 13.40 2.1836 1 -1 4 41.42 1.04 2.1802 1 -4 1 41.47 18.49 2.1777 0 2 3 41.56 13.03 2.1731 -1 -2 4 41.63 3.69 2.1697 0 -3 4 41.95 3.58 2.1535 1 -4 2 42.04 24.78 2.1493 2 -3 1 42.27 8.86 2.1381 2 2 0 42.38 8.80 2.1329 0 4 0 42.40 23.96 2.1318 -2 -2 2 42.46 13.48 2.1289 0 3 2 42.93 4.57 2.1067 -2 0 3 43.01 1.97 2.1030 0 -4 3 43.09 2.00 2.0991 -2 -1 3 43.27 7.26 2.0910 -1 4 0 43.71 2.82 2.0709 2 -3 2 43.92 11.95 2.0617 -2 2 2 43.94 2.62 2.0606 0 1 4 44.29 1.48 2.0453 2 -1 3 44.41 1.26 2.0399 1 -3 4 44.62 17.15 2.0307 2 -2 3 44.81 5.64 2.0226 1 -4 3 45.46 1.50 1.9953 -2 1 3 45.69 10.69 1.9857 -1 -3 4 45.70 5.31 1.9851 -2 3 1 45.76 3.15 1.9829 -1 -4 2 45.86 4.25 1.9788 -1 -4 1 46.58 2.70 1.9497 2 0 3 46.75 2.54 1.9431 0 4 1 46.90 11.17 1.9374 0 -2 5 46.93 2.95 1.9362 0 -1 5 47.01 8.04 1.9329 1 2 3 47.28 4.17 1.9224 -1 4 1 47.55 8.70 1.9124 2 -3 3 47.72 6.99 1.9057 0 -4 4 47.86 10.27 1.9005 -1 -4 3 48.21 5.30 1.8874 1 3 2 48.60 1.37 1.8734 -2 -3 2 48.97 10.44 1.8600 1 1 4 49.24 4.82 1.8506 -1 -1 5 49.38 2.29 1.8457 0 -3 5 49.47 2.64 1.8425 0 0 5 49.49 2.48 1.8417 -2 -1 4 49.94 9.62 1.8261 2 -4 2 49.98 2.98 1.8250 2 3 0 50.09 5.30 1.8211 -2 0 4 50.35 1.87 1.8122 0 3 3 50.35 3.04 1.8122 -2 2 3 50.43 2.35 1.8097 -3 1 0 50.54 9.27 1.8058 -2 4 0 50.62 8.94 1.8034 0 -5 2 50.87 1.50 1.7950 -1 3 3 50.89 20.23 1.7943 1 -1 5 50.91 1.28 1.7937 3 0 0 50.99 1.05 1.7912 2 2 2 51.12 3.36 1.7869 -3 0 1 51.13 7.59 1.7863 -1 0 5 51.16 11.80 1.7855 0 -5 1 51.56 3.28 1.7727 3 -1 1 51.63 5.11 1.7702 -1 2 4 51.65 1.20 1.7697 1 -5 1 51.67 1.81 1.7692 2 -1 4 51.97 2.84 1.7597 -1 -4 4 52.34 1.48 1.7479 -3 2 0 52.42 2.06 1.7456 1 4 1 52.71 11.86 1.7366 -1 -3 5 52.74 1.08 1.7358 3 -2 1 52.75 1.20 1.7354 3 0 1 52.87 11.39 1.7318 0 4 2 53.15 4.32 1.7233 1 -5 3 53.24 5.78 1.7205 -3 -1 1 53.35 2.01 1.7173 -3 0 2 53.70 8.65 1.7068 2 3 1 53.93 1.74 1.7002 -1 5 0 54.11 7.14 1.6948 0 -4 5 54.26 3.28 1.6906 0 1 5 54.66 7.85 1.6791 3 -1 2 54.72 3.54 1.6773 -3 -1 2 55.29 3.77 1.6614 -1 1 5 55.43 3.56 1.6578 -2 -3 4 55.58 6.66 1.6535 0 -5 4 55.74 10.89 1.6491 1 3 3 55.75 2.60 1.6490 -1 -5 2 55.92 7.42 1.6442 1 2 4 56.16 5.16 1.6379 1 -4 5 56.18 9.85 1.6372 3 -3 1 56.51 4.55 1.6284 -1 -5 1 56.70 5.47 1.6235 0 -2 6 56.87 2.85 1.6190 -2 -4 1 57.26 3.76 1.6090 -2 -1 5 57.35 7.27 1.6067 2 -4 4 57.40 1.83 1.6053 0 -1 6 57.44 3.36 1.6042 -3 0 3 57.46 12.01 1.6037 -3 2 2 57.56 2.69 1.6014 -3 -2 1 57.77 5.33 1.5960 -1 -4 5 57.79 6.01 1.5954 3 -3 2 57.84 2.32 1.5941 2 2 3 57.88 3.78 1.5931 2 -5 1 57.89 5.56 1.5929 2 -5 2 58.05 2.44 1.5888 -1 5 1 58.10 5.92 1.5877 -2 -4 3 58.11 1.77 1.5875 0 5 1 58.15 9.24 1.5864 -2 2 4 58.35 2.32 1.5813 1 4 2 58.46 5.94 1.5786 -2 0 5 58.70 9.22 1.5728 3 2 0 58.88 1.36 1.5684 1 1 5 58.99 2.66 1.5658 -1 -2 6 59.00 12.61 1.5655 -3 1 3 59.10 5.07 1.5632 2 4 0 59.15 3.15 1.5621 2 3 2 59.29 2.01 1.5586 2 1 4 59.30 2.96 1.5583 3 -2 3 59.77 4.03 1.5472 2 -5 3 59.93 2.13 1.5435 -1 -5 4 60.23 1.01 1.5366 2 -1 5 60.32 1.75 1.5345 2 -3 5 60.35 1.96 1.5338 -1 4 3 60.92 2.30 1.5208 1 -3 6 61.22 1.17 1.5139 3 -3 3 61.41 2.87 1.5099 -1 2 5 61.41 1.56 1.5098 -2 -3 5 61.50 4.83 1.5078 -1 0 6 61.66 1.70 1.5042 0 -6 2 61.80 1.87 1.5012 -2 1 5 61.85 1.01 1.5002 1 -6 2 61.86 1.75 1.4999 0 -4 6 61.91 1.08 1.4988 3 0 3 62.16 5.54 1.4933 1 -5 5 62.72 1.73 1.4813 1 -6 1 63.15 4.28 1.4723 -3 -1 4 63.43 3.40 1.4666 2 -5 4 63.55 7.40 1.4641 1 5 1 63.78 1.10 1.4593 -3 -3 1 63.80 1.84 1.4588 -1 5 2 63.98 1.65 1.4551 1 -4 6 64.84 1.51 1.4380 0 -6 4 65.05 1.42 1.4338 -2 3 4 65.10 1.46 1.4328 3 -2 4 65.15 4.23 1.4318 0 1 6 65.27 6.51 1.4296 -3 4 1 65.37 1.20 1.4276 -1 6 0 65.59 2.50 1.4233 -2 4 3 65.70 4.88 1.4212 -3 -3 3 65.71 2.51 1.4210 1 4 3 65.85 1.31 1.4184 -1 1 6 65.85 7.92 1.4183 -2 -5 2 65.94 2.54 1.4166 3 -1 4 66.06 1.01 1.4143 2 3 3 66.16 1.81 1.4124 -2 -1 6 66.30 7.77 1.4099 3 1 3 66.31 1.34 1.4096 3 -3 4 66.78 1.02 1.4008 -2 -5 1 67.42 1.01 1.3890 0 -5 6 67.84 9.64 1.3814 2 -6 1 67.89 3.42 1.3807 -2 0 6 68.02 3.75 1.3782 0 -3 7 68.23 3.94 1.3745 -3 3 3 68.26 3.23 1.3741 2 -2 6 68.45 3.39 1.3707 2 1 5 68.66 2.29 1.3669 -2 5 2 68.70 1.47 1.3664 2 -3 6 68.80 2.98 1.3645 3 0 4 68.84 1.42 1.3638 -1 4 4 68.99 1.86 1.3613 1 -5 6 69.00 2.55 1.3611 0 -6 5 69.20 1.84 1.3577 -1 3 5 69.25 1.31 1.3568 -3 -3 4 69.31 1.47 1.3558 -1 -6 4 69.43 5.09 1.3537 2 5 0 69.57 1.38 1.3513 1 1 6 69.61 5.71 1.3506 -4 1 1 69.63 2.51 1.3503 -3 4 2 69.68 5.67 1.3494 -1 6 1 69.72 1.16 1.3488 -3 -1 5 69.82 2.75 1.3470 2 -1 6 69.93 3.23 1.3453 4 0 0 70.19 1.73 1.3408 0 6 1 70.19 2.53 1.3408 -4 2 0 70.23 3.47 1.3402 4 -1 1 70.33 2.78 1.3385 -3 5 0 70.34 2.01 1.3384 -1 -3 7 70.90 1.13 1.3292 -1 -5 6 71.34 1.02 1.3221 -4 2 1 71.69 3.05 1.3165 4 0 1 71.72 4.11 1.3161 0 0 7 71.83 5.40 1.3143 0 2 6 72.33 1.92 1.3064 3 -2 5 72.76 1.62 1.2997 4 1 0 73.00 1.77 1.2961 4 -2 2 73.00 1.68 1.2960 1 -4 7 73.07 2.78 1.2950 4 -1 2 73.14 2.24 1.2939 -4 -1 2 73.34 6.83 1.2909 2 0 6 73.41 1.35 1.2899 -2 -5 5 73.57 1.18 1.2875 3 1 4 73.60 1.05 1.2870 1 -7 3 73.61 1.22 1.2868 0 -7 2 73.71 2.43 1.2853 2 5 1 73.90 2.93 1.2824 3 3 2 74.12 1.85 1.2791 -2 6 1 74.30 1.20 1.2765 2 3 4 74.39 1.30 1.2753 -3 -3 5 74.72 3.21 1.2705 0 -6 6 74.72 2.31 1.2704 1 -7 1 75.09 2.38 1.2650 4 0 2 75.27 1.53 1.2626 -3 3 4 75.45 1.31 1.2600 0 -5 7 75.54 1.69 1.2587 1 -7 4 75.77 5.29 1.2554 1 -6 6 75.83 2.20 1.2546 -4 -1 3 76.47 2.58 1.2457 -2 -6 2 77.04 1.12 1.2379 3 0 5 77.47 1.15 1.2320 4 2 0 77.62 1.24 1.2300 4 -4 1 77.75 2.19 1.2283 -1 7 0 78.36 1.70 1.2203 -2 0 7 78.39 1.15 1.2199 2 -7 3 78.40 1.63 1.2198 -3 -2 6 78.51 1.83 1.2184 -1 -6 6 78.57 1.03 1.2175 -1 -7 3 78.58 1.94 1.2174 3 -6 3 78.67 1.86 1.2162 0 -2 8 78.74 3.42 1.2153 -1 -7 2 78.83 1.78 1.2142 0 -3 8 78.84 1.05 1.2141 -3 0 6 79.14 1.19 1.2102 -2 -5 6 79.65 1.16 1.2038 -2 6 2 79.78 1.72 1.2021 3 -5 5 80.01 1.32 1.1992 2 -4 7 80.04 1.87 1.1988 -1 -7 4 80.21 1.82 1.1967 0 5 4 80.21 1.36 1.1967 -1 -2 8 80.49 1.60 1.1933 2 -1 7 80.49 1.27 1.1933 -4 4 1 81.00 1.52 1.1871 2 6 0 81.62 1.32 1.1795 1 -3 8 81.91 1.66 1.1761 1 -2 8 82.22 1.53 1.1725 -4 -3 1 82.44 2.71 1.1699 -2 1 7 82.81 2.93 1.1656 -2 4 5 83.12 1.26 1.1621 -1 -7 5 83.54 1.04 1.1573 -4 -3 3 83.63 1.34 1.1563 2 -5 7 83.69 2.28 1.1556 -3 3 5 84.17 2.05 1.1502 2 4 4 84.25 1.56 1.1494 4 -5 2 84.75 1.27 1.1438 4 2 2 84.80 2.54 1.1433 0 -5 8 85.14 1.17 1.1395 1 3 6 85.40 1.47 1.1368 -1 -6 7 86.29 1.24 1.1273 4 -5 3 86.60 1.96 1.1241 4 0 4 87.13 3.31 1.1186 -3 -2 7 88.14 2.06 1.1084 -4 1 5 88.42 1.21 1.1056 -3 6 2 89.11 1.86 1.0988 2 -3 8 89.26 2.40 1.0974 -4 -4 2 89.72 1.49 1.0929 -4 3 4 89.84 1.30 1.0918 2 -2 8 89.94 1.97 1.0908 4 -5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.