Epididymite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110029 Gatta G D, Rotiroti N, McIntyre G J, Guastoni A, Nestola F American Mineralogist 93 (2008) 1158-1165 New insights into the crystal chemistry of epididymite and eudidymite from Malosa, Malawi: A single-crystal neutron diffraction study Locality: Malosa, Malawi _database_code_amcsd 0004614 CELL PARAMETERS: 12.7650 13.6590 7.3575 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Na 0.10285 0.06934 0.50192 1.000 2.100 Be 0.49472 -0.00042 0.34273 1.000 0.529 Si 0.15908 0.13780 0.01543 1.000 0.403 Si 0.34260 0.13635 0.73115 1.000 0.426 Si 0.33173 0.13741 0.30525 1.000 0.466 O 0.12005 0.25000 0.00001 1.000 1.098 O 0.21704 0.12240 0.21004 1.000 0.932 O 0.06068 0.06612 0.00658 1.000 0.568 O 0.23777 0.11405 0.84938 1.000 1.169 O 0.43489 0.06457 0.78946 1.000 0.711 O 0.37761 0.25000 0.76529 1.000 0.947 O 0.30497 0.12340 0.52074 1.000 0.837 O 0.37000 0.25000 0.26883 1.000 0.908 O 0.41552 0.06300 0.22624 1.000 0.750 O 0.05713 0.25000 0.48974 1.000 2.274 H 0.00647 0.25000 0.58561 1.000 4.066 H 0.01340 0.25000 0.38486 1.000 4.627 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 10.99619993 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.96 2.87 6.8295 0 2 0 13.87 15.66 6.3825 2 0 0 13.89 18.19 6.3745 1 0 1 15.32 10.84 5.7824 2 1 0 15.34 4.25 5.7764 1 1 1 18.40 1.56 4.8212 2 0 1 19.03 13.12 4.6631 2 2 0 24.16 26.12 3.6834 3 0 1 24.19 1.61 3.6788 0 0 2 25.19 1.27 3.5349 1 0 2 26.04 1.21 3.4221 1 1 2 26.10 34.11 3.4148 0 4 0 27.51 10.74 3.2419 3 2 1 27.96 13.08 3.1913 4 0 0 27.99 2.95 3.1872 2 0 2 28.73 4.31 3.1076 4 1 0 28.76 100.00 3.1038 2 1 2 29.67 42.46 3.0109 2 4 0 29.68 6.44 3.0101 1 4 1 30.93 1.80 2.8912 4 2 0 32.12 1.11 2.7866 2 4 1 32.84 1.31 2.7269 3 1 2 34.35 16.57 2.6110 2 3 2 35.75 1.86 2.5114 2 5 0 35.86 13.78 2.5042 3 4 1 37.28 8.02 2.4119 5 0 1 39.59 3.02 2.2765 0 6 0 39.63 1.90 2.2743 5 2 1 39.65 1.56 2.2732 4 2 2 42.14 2.48 2.1442 2 6 0 42.15 1.78 2.1439 1 6 1 42.41 3.93 2.1313 5 3 1 42.43 3.24 2.1304 4 3 2 42.46 1.36 2.1289 1 3 3 43.64 1.37 2.0742 2 5 2 44.61 2.53 2.0312 6 2 0 46.07 4.20 1.9701 5 4 1 49.56 11.05 1.8394 0 0 4 49.97 4.08 1.8252 6 1 2 50.11 1.05 1.8206 1 0 4 50.49 16.73 1.8075 4 5 2 50.52 2.85 1.8066 1 5 3 50.55 3.92 1.8057 6 4 0 52.15 6.95 1.7540 5 1 3 53.68 2.69 1.7074 0 8 0 54.73 2.14 1.6772 3 5 3 55.73 5.29 1.6494 2 8 0 55.74 1.60 1.6492 1 8 1 55.76 1.11 1.6486 5 3 3 56.86 1.62 1.6194 0 4 4 57.86 4.67 1.5936 4 0 4 59.47 4.53 1.5544 6 6 0 59.69 4.65 1.5490 3 8 1 62.57 2.73 1.4846 5 5 3 63.96 3.09 1.4555 8 1 2 63.99 1.41 1.4550 7 1 3 67.04 1.26 1.3961 2 6 4 67.19 2.67 1.3932 7 3 3 67.33 2.64 1.3907 3 0 5 68.47 2.55 1.3703 2 9 2 68.72 1.68 1.3659 0 10 0 70.75 3.81 1.3316 6 8 0 71.34 1.20 1.3221 2 4 5 73.38 6.05 1.2903 8 5 2 73.43 1.27 1.2896 9 4 1 73.49 2.70 1.2886 6 4 4 73.53 3.33 1.2880 3 4 5 73.78 2.65 1.2843 4 9 2 73.80 1.51 1.2840 1 9 3 74.41 1.34 1.2749 5 0 5 75.75 1.54 1.2557 4 10 0 76.56 1.11 1.2444 4 4 5 77.77 1.15 1.2280 2 8 4 79.98 1.12 1.1996 2 1 6 80.40 1.02 1.1944 5 4 5 82.80 1.72 1.1658 10 3 2 83.56 1.96 1.1570 2 11 2 84.03 2.02 1.1518 5 9 3 87.94 1.05 1.1104 1 8 5 89.34 1.30 1.0966 0 10 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.