Medaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130098 Gramaccioli C M, Liborio G, Pilati T Acta Crystallographica B37 (1981) 1972-1978 Structure of medaite, Mn6[VSi5O18(OH)]: The presence of a new kind of heteropolysilicate anion Locality: Molinello, Chavari, Liguria, Italy Note: anisoB's from ICSD _database_code_amcsd 0009748 CELL PARAMETERS: 6.7110 28.9780 7.5790 90.000 95.329 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Mn 0.37000 0.02239 0.15460 0.962 0.670 Ca 0.37000 0.02239 0.15460 0.032 0.670 Fe 0.37000 0.02239 0.15460 0.058 0.670 Mn 0.68080 0.31736 0.02370 0.962 0.690 Ca 0.68080 0.31736 0.02370 0.032 0.690 Fe 0.68080 0.31736 0.02370 0.058 0.690 Mn 0.45560 0.13625 0.22140 0.962 0.670 Ca 0.45560 0.13625 0.22140 0.032 0.670 Fe 0.45560 0.13625 0.22140 0.058 0.670 Mn 0.66870 0.08683 0.91820 0.962 0.750 Ca 0.66870 0.08683 0.91820 0.032 0.750 Fe 0.66870 0.08683 0.91820 0.058 0.750 Mn 0.14120 0.07642 0.44130 0.962 0.940 Ca 0.14120 0.07642 0.44130 0.032 0.940 Fe 0.14120 0.07642 0.44130 0.058 0.940 Mn 0.47420 0.25294 0.30870 0.962 0.830 Ca 0.47420 0.25294 0.30870 0.032 0.830 Fe 0.47420 0.25294 0.30870 0.058 0.830 V 0.49260 0.21363 0.88040 0.815 0.880 As 0.49260 0.21363 0.88040 0.185 0.880 Si 0.69400 0.16672 0.58920 1.000 0.880 Si 0.64150 0.06220 0.51590 1.000 0.800 Si 0.86520 0.01208 0.22890 1.000 0.860 Si 0.81580 -0.09403 0.16530 1.000 0.830 Si 0.03710 -0.14571 -0.11410 1.000 0.840 O 0.65440 0.25772 0.85570 1.000 1.050 O 0.45690 0.20238 0.08890 1.000 1.090 O 0.27960 0.22463 0.75930 1.000 1.170 O 0.60620 0.16425 0.78900 1.000 1.060 O 0.51240 0.18469 0.45000 1.000 1.080 O 0.88960 0.19857 0.60030 1.000 0.910 O 0.75290 0.11262 0.55230 1.000 1.070 O 0.44750 0.06913 0.37590 1.000 1.030 O 0.59890 0.04201 0.70420 1.000 0.950 O 0.80530 0.03026 0.42350 1.000 1.050 O 0.07470 0.03697 0.20930 1.000 1.000 O 0.68540 0.02299 0.07540 1.000 0.870 O 0.89780 -0.04393 0.24480 1.000 0.950 O 0.63060 -0.09027 0.01320 1.000 0.860 O 0.77870 -0.12081 0.34430 1.000 1.040 O 0.00310 -0.11675 0.06840 1.000 0.910 O 0.25260 -0.12771 -0.15320 1.000 1.010 O 0.86470 -0.13917 -0.27660 1.000 0.900 O 0.03260 -0.20096 -0.05160 1.000 1.300 H 0.96700 -0.21500 -0.15900 1.000 1.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 26 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 4.873526911 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.12 2.62 7.3027 0 1 1 12.22 2.41 7.2445 0 4 0 13.23 3.82 6.6929 0 2 1 13.60 25.89 6.5111 1 1 0 14.60 10.48 6.0678 1 2 0 14.90 9.72 5.9467 0 3 1 16.13 4.43 5.4953 1 3 0 16.97 17.23 5.2261 0 4 1 17.16 4.49 5.1664 -1 1 1 18.06 1.95 4.9117 1 4 0 18.37 6.29 4.8297 0 6 0 18.54 57.18 4.7869 1 0 1 18.79 43.75 4.7229 1 1 1 19.24 1.86 4.6131 -1 3 1 20.28 5.30 4.3782 1 5 0 20.89 6.06 4.2514 -1 4 1 21.85 10.73 4.0679 0 6 1 22.26 1.92 3.9938 1 4 1 22.72 3.90 3.9143 1 6 0 22.85 1.51 3.8912 -1 5 1 23.78 7.89 3.7415 0 1 2 24.53 6.15 3.6295 0 7 1 25.31 2.60 3.5191 1 7 0 25.34 1.05 3.5145 0 3 2 26.21 1.46 3.3999 1 6 1 26.64 22.50 3.3464 0 4 2 26.68 4.59 3.3410 2 0 0 26.75 9.98 3.3327 -1 2 2 26.86 15.79 3.3190 2 1 0 27.31 94.15 3.2655 0 8 1 27.40 52.04 3.2556 2 2 0 27.44 2.57 3.2508 -1 7 1 27.64 2.60 3.2277 -1 3 2 28.02 4.40 3.1844 1 8 0 28.22 68.43 3.1621 0 5 2 28.26 44.35 3.1575 2 3 0 28.36 22.55 3.1470 -2 1 1 28.51 21.47 3.1312 1 7 1 28.84 2.45 3.0960 -1 4 2 28.87 83.38 3.0928 -2 2 1 29.44 13.00 3.0339 2 4 0 29.70 53.84 3.0083 -2 3 1 29.73 37.03 3.0052 1 3 2 30.05 3.92 2.9733 0 6 2 30.18 80.62 2.9615 0 9 1 30.32 1.07 2.9483 -1 5 2 30.41 78.00 2.9398 2 1 1 30.82 1.16 2.9009 -2 4 1 30.85 45.81 2.8981 1 4 2 30.89 1.35 2.8945 2 5 0 30.96 10.36 2.8885 1 8 1 31.66 13.74 2.8258 2 3 1 32.10 70.95 2.7886 0 7 2 32.22 5.93 2.7783 -2 5 1 32.25 2.68 2.7759 1 5 2 32.62 51.30 2.7448 -1 9 1 33.11 20.32 2.7052 0 10 1 33.88 5.14 2.6456 1 6 2 33.97 9.62 2.6387 -1 7 2 34.06 16.42 2.6326 2 5 1 34.15 45.73 2.6253 -2 0 2 34.30 28.30 2.6146 -2 1 2 34.32 100.00 2.6130 0 8 2 34.73 4.76 2.5832 -2 2 2 35.38 35.62 2.5371 -1 10 1 35.43 2.85 2.5334 -2 3 2 35.62 26.86 2.5207 2 6 1 35.70 8.37 2.5147 -2 7 1 35.73 1.38 2.5129 1 7 2 35.83 37.88 2.5060 0 1 3 36.09 6.72 2.4885 -1 8 2 36.11 5.60 2.4872 0 11 1 36.24 2.63 2.4790 1 10 1 36.25 9.32 2.4783 0 2 3 36.40 1.54 2.4682 -2 4 2 36.59 3.61 2.4559 2 8 0 36.67 1.69 2.4508 1 11 0 36.69 33.90 2.4492 0 9 2 36.93 2.50 2.4342 0 3 3 37.00 5.05 2.4297 -1 0 3 37.13 13.84 2.4212 -1 1 3 37.39 5.47 2.4052 2 7 1 37.53 2.00 2.3963 -1 2 3 37.61 2.71 2.3914 -2 5 2 37.74 4.03 2.3837 -2 8 1 37.76 6.36 2.3822 1 8 2 37.86 4.77 2.3762 0 4 3 38.11 2.94 2.3614 2 2 2 38.22 2.73 2.3546 -1 11 1 38.76 14.80 2.3232 2 3 2 38.84 31.76 2.3184 2 9 0 39.03 4.78 2.3079 1 11 1 39.04 7.11 2.3075 0 5 3 39.05 2.18 2.3065 -2 6 2 39.20 30.38 2.2982 0 10 2 39.43 3.81 2.2852 1 0 3 39.56 5.39 2.2781 1 1 3 39.94 1.30 2.2573 1 2 3 40.25 1.10 2.2408 -1 5 3 40.43 10.33 2.2310 0 6 3 40.79 3.27 2.2121 -1 10 2 41.00 4.33 2.2015 3 2 0 41.14 2.19 2.1939 -1 12 1 41.18 58.86 2.1922 -3 0 1 41.24 7.79 2.1891 2 10 0 41.30 5.21 2.1860 -3 1 1 41.61 10.12 2.1704 3 3 0 41.82 17.50 2.1600 0 11 2 41.90 1.74 2.1560 1 12 1 42.14 1.07 2.1445 2 6 2 42.28 5.70 2.1375 -2 10 1 42.30 16.44 2.1364 1 10 2 42.46 6.13 2.1290 3 4 0 43.43 5.61 2.0838 -2 2 3 43.53 3.37 2.0791 3 5 0 43.53 4.04 2.0789 3 1 1 43.76 21.84 2.0686 2 11 0 43.82 1.63 2.0661 0 8 3 43.83 26.68 2.0656 1 6 3 43.88 1.53 2.0631 3 2 1 44.01 4.03 2.0574 -2 3 3 44.55 4.61 2.0339 0 12 2 44.76 4.68 2.0250 -2 11 1 44.78 1.35 2.0240 1 11 2 44.85 3.24 2.0207 1 13 1 44.92 1.73 2.0178 -1 8 3 45.33 24.91 2.0006 1 7 3 45.43 2.85 1.9964 -3 1 2 45.44 1.39 1.9962 -3 6 1 45.77 3.33 1.9823 -3 2 2 45.99 4.02 1.9735 -1 12 2 46.29 1.87 1.9614 3 7 0 46.40 7.32 1.9571 2 12 0 46.84 1.19 1.9395 -1 9 3 47.02 1.49 1.9327 1 8 3 47.20 1.42 1.9256 -1 14 1 47.32 2.47 1.9209 2 9 2 47.88 1.52 1.8999 1 14 1 48.10 4.15 1.8916 -3 5 2 48.35 1.56 1.8826 0 1 4 48.74 2.24 1.8682 -1 13 2 48.87 2.31 1.8635 1 9 3 48.92 6.34 1.8618 -1 10 3 48.93 9.20 1.8617 3 7 1 49.21 23.70 1.8516 0 3 4 49.29 4.88 1.8487 -3 6 2 49.39 12.70 1.8454 2 10 2 50.11 3.68 1.8205 -2 8 3 50.33 5.43 1.8130 -1 15 1 50.36 1.73 1.8121 -3 9 1 50.52 3.10 1.8066 3 8 1 50.67 7.80 1.8017 -3 7 2 50.98 4.45 1.7915 1 15 1 51.41 5.68 1.7773 -2 12 2 51.57 4.90 1.7722 -1 5 4 51.59 2.14 1.7715 2 11 2 51.65 1.34 1.7697 1 1 4 51.77 1.67 1.7660 3 10 0 51.92 18.71 1.7611 0 16 1 51.96 5.73 1.7599 1 2 4 51.97 4.31 1.7595 2 14 0 52.03 6.88 1.7577 3 5 2 52.22 5.16 1.7516 -3 8 2 52.28 1.27 1.7497 3 9 1 52.47 2.11 1.7439 1 3 4 53.05 8.01 1.7262 1 11 3 53.15 5.57 1.7231 3 6 2 53.18 6.79 1.7222 1 4 4 53.19 3.16 1.7221 -3 3 3 53.52 1.95 1.7121 -1 16 1 53.82 42.41 1.7035 -2 10 3 53.92 2.82 1.7004 -2 2 4 53.93 4.64 1.7002 2 8 3 53.95 2.44 1.6996 -3 9 2 53.96 1.14 1.6992 -2 13 2 54.02 4.98 1.6976 -1 7 4 54.09 6.00 1.6955 1 5 4 54.14 3.50 1.6939 1 16 1 54.21 3.67 1.6921 3 10 1 54.42 1.36 1.6860 -2 3 4 54.45 1.64 1.6851 -3 11 1 54.79 1.50 1.6755 -3 5 3 54.90 1.86 1.6724 2 15 0 55.07 20.24 1.6677 4 1 0 55.25 18.02 1.6627 0 17 1 55.35 19.65 1.6598 1 12 3 55.36 21.31 1.6595 4 2 0 55.65 1.96 1.6517 1 17 0 55.74 1.09 1.6491 -2 15 1 55.76 2.62 1.6486 1 15 2 55.83 2.40 1.6467 -3 10 2 55.85 1.37 1.6461 4 3 0 55.90 1.68 1.6448 -2 11 3 56.00 1.64 1.6421 -2 5 4 56.28 15.67 1.6346 3 11 1 56.71 2.12 1.6231 -3 12 1 57.07 7.91 1.6138 -2 6 4 57.14 1.38 1.6120 -3 7 3 57.16 1.73 1.6115 -1 9 4 57.22 8.55 1.6099 0 18 0 57.38 18.12 1.6058 1 17 1 57.78 7.70 1.5957 1 13 3 58.16 3.20 1.5860 3 2 3 58.32 12.99 1.5822 -2 7 4 58.37 1.30 1.5810 0 10 4 58.47 3.27 1.5785 4 3 1 58.50 6.55 1.5779 3 12 1 58.58 9.70 1.5759 -3 8 3 58.59 6.26 1.5756 -1 14 3 58.63 4.76 1.5745 0 18 1 58.64 10.56 1.5743 3 3 3 58.67 2.39 1.5735 -4 2 2 58.69 3.61 1.5732 -4 6 1 58.73 1.01 1.5720 -2 16 1 58.74 1.05 1.5718 2 2 4 58.98 3.25 1.5661 -1 10 4 59.00 4.20 1.5656 2 14 2 59.02 1.18 1.5651 1 18 0 59.13 1.39 1.5623 4 4 1 59.15 4.70 1.5620 -4 3 2 59.30 6.98 1.5583 3 4 3 59.46 4.66 1.5545 2 11 3 59.74 5.41 1.5480 -2 8 4 59.81 1.42 1.5464 -4 4 2 59.88 1.93 1.5447 2 4 4 59.91 6.40 1.5439 -4 7 1 60.18 11.73 1.5377 -3 9 3 60.35 1.70 1.5338 0 11 4 60.65 1.01 1.5270 -4 5 2 60.69 1.07 1.5260 -1 17 2 60.69 4.62 1.5259 1 18 1 60.72 4.22 1.5253 2 5 4 60.95 2.50 1.5202 -1 11 4 61.02 1.13 1.5184 2 17 0 61.09 3.56 1.5170 4 8 0 61.30 4.23 1.5121 -1 15 3 61.47 4.49 1.5084 -3 1 4 61.63 2.16 1.5050 -3 14 1 61.70 3.86 1.5033 2 15 2 61.73 6.89 1.5026 2 6 4 61.82 1.50 1.5009 -2 17 1 61.94 12.10 1.4981 -3 10 3 62.09 1.02 1.4949 0 19 1 62.65 1.43 1.4828 4 9 0 62.93 1.19 1.4770 2 7 4 63.32 1.13 1.4687 3 14 1 63.57 1.23 1.4635 4 8 1 63.72 1.60 1.4605 4 3 2 63.77 3.77 1.4594 3 15 0 63.85 9.81 1.4578 -3 11 3 63.89 5.91 1.4569 -1 18 2 64.07 3.38 1.4534 -4 1 3 64.08 1.47 1.4532 1 19 1 64.13 1.27 1.4521 -1 16 3 64.34 2.60 1.4480 -4 2 3 64.52 2.87 1.4442 2 16 2 64.66 2.68 1.4416 -3 6 4 64.96 1.10 1.4356 -2 11 4 64.99 2.63 1.4350 -2 18 1 65.01 13.96 1.4346 -1 6 5 65.16 3.67 1.4317 4 5 2 65.26 1.95 1.4297 3 9 3 65.26 5.04 1.4297 -2 17 2 65.36 7.64 1.4278 1 3 5 65.71 1.20 1.4211 3 13 2 65.74 6.37 1.4205 -4 9 2 65.81 3.40 1.4191 -2 2 5 65.82 4.50 1.4189 -3 7 4 65.87 1.87 1.4180 0 7 5 65.97 1.98 1.4160 1 20 0 65.98 22.88 1.4158 1 4 5 66.09 2.98 1.4137 2 18 1 66.14 20.18 1.4129 4 6 2 66.17 1.32 1.4123 -1 7 5 66.25 1.69 1.4108 4 11 0 66.25 1.31 1.4107 -2 3 5 66.30 1.23 1.4098 2 14 3 66.54 1.11 1.4052 3 16 0 66.78 7.26 1.4008 1 5 5 66.79 6.45 1.4006 4 10 1 66.95 1.18 1.3977 3 10 3 67.19 2.65 1.3932 -1 19 2 67.28 7.37 1.3916 4 7 2 67.42 1.24 1.3891 -4 10 2 67.45 5.53 1.3885 2 17 2 67.55 2.11 1.3868 1 20 1 67.66 1.71 1.3847 -2 5 5 68.09 4.21 1.3771 3 14 2 68.12 2.65 1.3766 -3 13 3 68.27 2.97 1.3738 4 12 0 68.31 1.46 1.3731 -2 16 3 68.35 8.52 1.3724 -2 18 2 68.62 1.01 1.3676 -2 6 5 68.63 5.88 1.3675 4 11 1 68.84 1.07 1.3638 2 15 3 68.88 1.21 1.3631 1 7 5 69.25 1.75 1.3568 -4 11 2 69.49 1.16 1.3526 0 20 2 69.57 1.91 1.3514 1 21 0 69.66 4.37 1.3497 0 15 4 69.90 2.77 1.3457 -3 17 1 70.07 1.43 1.3428 -3 16 2 70.57 2.55 1.3346 -1 21 1 70.60 1.77 1.3341 3 15 2 70.89 2.68 1.3293 2 20 0 71.10 1.27 1.3259 1 21 1 71.28 5.31 1.3230 4 3 3 71.50 1.32 1.3195 3 17 1 71.51 2.25 1.3193 -2 14 4 71.55 8.23 1.3188 -2 19 2 71.93 1.79 1.3126 -4 0 4 72.23 3.27 1.3080 2 4 5 72.27 4.35 1.3073 3 7 4 72.32 3.39 1.3065 0 16 4 72.37 1.48 1.3057 -3 1 5 72.47 1.34 1.3042 0 19 3 72.63 7.04 1.3018 -3 2 5 72.68 1.56 1.3009 2 20 1 72.90 12.58 1.2976 -3 18 1 73.05 8.90 1.2953 -3 3 5 73.20 1.20 1.2931 -5 2 2 73.28 1.76 1.2918 -1 19 3 73.49 1.72 1.2887 4 11 2 74.05 1.07 1.2802 -4 5 4 74.38 2.58 1.2754 2 21 0 74.47 1.31 1.2741 3 18 1 75.04 2.48 1.2659 4 14 1 75.42 3.22 1.2603 4 12 2 75.82 1.36 1.2546 -5 8 1 75.96 4.09 1.2527 -1 2 6 76.38 4.28 1.2469 -1 3 6 76.45 2.49 1.2459 -1 13 5 76.56 1.20 1.2444 -1 20 3 77.46 5.54 1.2322 4 15 1 77.74 3.40 1.2284 -5 0 3 79.25 1.67 1.2087 -3 20 1 79.52 1.20 1.2054 -2 3 6 79.80 2.39 1.2018 5 9 1 79.96 1.69 1.1999 -1 21 3 80.02 1.64 1.1991 4 16 1 80.10 2.15 1.1981 -2 4 6 80.21 2.55 1.1967 3 12 4 80.37 1.76 1.1947 3 2 5 80.50 2.10 1.1931 4 17 0 81.24 1.49 1.1841 1 14 5 81.36 1.99 1.1827 3 4 5 81.52 1.27 1.1807 4 4 4 82.26 3.14 1.1720 4 5 4 83.35 1.15 1.1594 0 16 5 83.57 3.68 1.1570 -4 18 1 83.62 2.22 1.1564 1 15 5 84.91 1.49 1.1421 1 25 0 85.16 2.22 1.1394 3 20 2 85.44 1.33 1.1364 5 1 3 85.57 1.02 1.1350 0 11 6 86.22 1.05 1.1280 2 18 4 86.26 1.18 1.1276 -3 4 6 86.81 4.93 1.1219 1 20 4 87.50 1.62 1.1149 2 23 2 87.53 1.03 1.1145 0 26 0 87.60 2.29 1.1138 0 21 4 87.61 2.36 1.1137 6 0 0 88.04 2.27 1.1094 -6 3 1 88.56 1.25 1.1042 -4 9 5 88.60 2.62 1.1038 -6 4 1 88.83 1.44 1.1015 -3 18 4 88.93 1.52 1.1006 -5 7 4 89.05 1.21 1.0994 1 26 0 89.39 2.14 1.0961 -6 0 2 89.47 2.89 1.0953 -6 1 2 89.52 2.23 1.0949 -5 12 3 89.74 1.68 1.0927 -4 20 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.