Zemannite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050273 Miletich F European Journal of Mineralogy 7 (1995) 509-523 Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample bam6 Locality: Bambolla Mine, Moctezuma, Sonora, Mexico _database_code_amcsd 0006592 CELL PARAMETERS: 9.4145 9.4154 7.6617 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Te 0.49792 0.45713 0.25000 1.000 1.208 Fe 0.33333 0.66667 0.05963 0.490 1.366 Zn 0.33333 0.66667 0.05963 0.420 1.366 Mn 0.33333 0.66667 0.05963 0.090 1.366 Mg 0.00000 0.00000 0.16910 0.255 1.713 O 0.16130 0.50530 0.25000 1.000 1.311 O 0.48910 0.14150 0.07060 1.000 1.919 Wa 0.06010 0.18980 0.16310 0.400 4.090 Wa 0.19920 0.13170 0.01550 0.350 4.374 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 64.81214147 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.85 100.00 8.1536 1 0 0 18.85 4.39 4.7073 1 1 0 21.80 70.62 4.0768 2 0 0 22.16 1.08 4.0108 1 1 1 23.22 13.64 3.8308 0 0 2 24.74 1.17 3.5989 2 0 1 25.69 6.39 3.4672 1 0 2 28.97 11.60 3.0817 2 1 0 28.97 10.22 3.0816 1 2 0 30.08 24.31 2.9713 1 1 2 31.29 29.20 2.8591 2 1 1 31.29 8.69 2.8590 1 2 1 32.06 84.26 2.7917 2 0 2 32.96 1.14 2.7179 3 0 0 35.03 9.26 2.5614 3 0 1 36.88 2.77 2.4371 1 0 3 37.45 6.83 2.4012 2 1 2 38.24 17.18 2.3536 2 2 0 39.86 1.97 2.2613 3 1 0 39.87 1.91 2.2613 1 3 0 40.08 1.65 2.2499 2 2 1 40.17 2.05 2.2448 1 1 3 40.71 10.70 2.2166 3 0 2 41.64 1.76 2.1688 3 1 1 41.64 6.72 2.1688 1 3 1 41.73 2.88 2.1643 2 0 3 44.44 2.21 2.0384 4 0 0 45.22 7.59 2.0054 2 2 2 46.16 2.31 1.9664 1 2 3 46.64 1.12 1.9474 3 1 2 46.64 1.61 1.9473 1 3 2 47.47 4.78 1.9154 0 0 4 48.68 2.24 1.8705 2 3 0 48.84 2.94 1.8647 1 0 4 48.94 3.21 1.8611 3 0 3 50.21 1.67 1.8171 3 2 1 50.21 6.57 1.8171 2 3 1 50.73 13.09 1.7994 4 0 2 51.35 3.24 1.7792 1 4 0 51.51 1.25 1.7742 1 1 4 52.81 12.58 1.7336 2 0 4 52.82 10.40 1.7331 4 1 1 54.18 8.82 1.6930 1 3 3 56.43 2.08 1.6307 5 0 0 56.57 3.04 1.6268 2 1 4 57.08 6.11 1.6137 4 1 2 57.81 6.05 1.5949 5 0 1 59.00 1.36 1.5656 3 0 4 60.20 1.58 1.5372 3 3 1 61.44 4.40 1.5090 3 2 3 61.44 10.75 1.5090 2 3 3 62.52 4.65 1.4856 2 2 4 63.67 1.03 1.4616 1 3 4 63.75 4.57 1.4599 4 1 3 64.82 4.33 1.4383 1 5 1 65.27 2.71 1.4295 4 2 2 65.27 2.55 1.4295 2 4 2 67.05 2.83 1.3958 4 0 4 68.24 2.14 1.3744 5 0 3 68.37 2.68 1.3721 2 1 5 68.37 1.73 1.3721 1 2 5 68.61 1.08 1.3679 5 1 2 69.12 2.70 1.3589 6 0 0 70.22 1.04 1.3404 4 3 0 70.56 1.75 1.3348 3 0 5 71.45 5.36 1.3203 4 3 1 73.60 1.45 1.2870 5 2 1 73.60 2.83 1.2870 2 5 1 74.27 1.37 1.2770 0 0 6 74.73 1.17 1.2703 1 5 3 74.85 1.47 1.2685 3 1 5 75.34 1.85 1.2616 1 0 6 76.63 1.09 1.2434 6 1 0 77.19 1.67 1.2358 2 5 2 77.82 1.59 1.2273 6 1 1 78.49 2.74 1.2186 2 0 6 83.09 2.51 1.1625 2 5 3 83.21 1.79 1.1611 4 1 5 86.76 2.10 1.1224 2 2 6 87.20 2.52 1.1179 6 1 3 87.32 2.12 1.1167 5 0 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.