Ekatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110136 Keller P European Journal of Mineralogy 13 (2001) 769-777 Ekatite, (Fe3+,Fe2+,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2, a new mineral from Tsumeb, Namibia, and its crystal structure Locality: Tsumeb, Namibia _database_code_amcsd 0006895 CELL PARAMETERS: 12.7540 12.7540 5.0457 90.000 90.000 120.000 SPACE GROUP: P6_3mc ATOM X Y Z OCCUPANCY ISO(B) Fe 0.91549 0.57285 0.59350 0.508 0.845 Fe 0.91549 0.57285 0.59350 0.337 0.845 Zn 0.91549 0.57285 0.59350 0.150 0.845 As 0.71631 0.85816 0.62460 0.500 0.608 As 0.66667 0.33333 0.89500 0.768 0.561 Si 0.66667 0.33333 0.83700 0.246 0.608 O 0.60480 0.80240 0.88600 1.000 1.461 O 0.65590 0.93390 0.43700 1.000 0.987 O 0.59680 0.19360 0.72300 1.000 1.705 OH 0.04900 0.52450 0.77800 1.000 1.019 OH 0.66667 0.33333 0.16600 0.246 0.742 H 0.01000 0.50200 0.60000 1.000 1.000 H 0.66667 0.33333 0.38810 0.246 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 26.15691162 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.00 100.00 11.0453 1 0 0 13.89 30.01 6.3770 1 1 0 19.34 22.02 4.5895 1 0 1 23.89 19.00 3.7251 2 0 1 24.17 10.29 3.6818 3 0 0 27.73 71.55 3.2165 2 1 1 27.98 11.90 3.1885 2 2 0 30.05 3.29 2.9742 3 0 1 32.42 17.11 2.7613 4 0 0 34.24 10.23 2.6186 3 1 1 35.59 4.56 2.5229 0 0 2 37.12 31.62 2.4223 4 0 1 37.31 5.66 2.4103 4 1 0 38.37 9.48 2.3459 1 1 2 39.26 2.68 2.2947 2 0 2 39.81 8.42 2.2644 3 2 1 40.85 2.72 2.2091 5 0 0 41.52 6.06 2.1749 4 1 1 41.84 1.37 2.1592 2 1 2 43.48 5.33 2.0811 3 0 2 45.87 2.54 1.9784 2 2 2 47.12 8.36 1.9288 4 2 1 48.90 5.53 1.8625 4 0 2 49.36 6.90 1.8462 5 1 1 50.24 2.01 1.8158 4 3 0 51.09 20.13 1.7878 3 2 2 51.68 1.03 1.7687 5 2 0 52.51 1.51 1.7428 4 1 2 52.95 2.80 1.7294 6 0 1 53.64 3.11 1.7086 4 3 1 54.48 1.43 1.6844 6 1 0 55.02 7.18 1.6691 5 2 1 55.25 1.38 1.6627 1 0 3 55.27 1.13 1.6620 5 0 2 56.62 3.90 1.6256 3 3 2 57.70 4.13 1.5977 6 1 1 57.84 7.81 1.5942 4 4 0 58.49 3.17 1.5779 5 3 0 59.23 4.04 1.5601 2 1 3 61.58 5.35 1.5060 5 3 1 62.45 1.24 1.4871 6 0 2 63.05 4.83 1.4743 3 1 3 63.47 2.22 1.4657 6 2 1 63.60 4.44 1.4630 7 1 0 64.32 8.15 1.4482 5 2 2 64.92 12.98 1.4364 4 0 3 66.78 3.48 1.4009 6 1 2 68.96 1.15 1.3617 5 4 1 69.78 3.04 1.3477 4 4 2 70.15 1.13 1.3415 6 3 1 70.35 1.12 1.3382 5 0 3 70.38 1.73 1.3378 7 0 2 70.75 3.10 1.3317 8 0 1 72.51 5.33 1.3036 7 2 1 74.38 2.56 1.2754 5 5 0 75.35 1.20 1.2614 0 0 4 75.99 1.52 1.2523 8 1 1 78.50 1.36 1.2185 6 3 2 84.12 1.49 1.1508 5 3 3 84.43 1.30 1.1474 4 0 4 85.83 2.07 1.1322 6 4 2 86.11 1.09 1.1292 3 2 4 87.23 1.37 1.1176 4 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.