Waylandite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130361 Mills S J, Kampf A R, Raudsepp M, Birch W D Mineralogy and Petrology 100 (2010) 249-253 The crystal structure of waylandite from Wheal Remfry, Cornwall, United Kingdom Locality: Wheal Remfry, Cornwall, United Kingdom _database_code_amcsd 0019168 CELL PARAMETERS: 7.0310 7.0310 16.4220 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Bi 0.00000 0.00000 0.00000 0.490 5.495 Sr 0.00000 0.00000 0.00000 0.280 5.495 Ca 0.00000 0.00000 0.00000 0.230 5.495 Al 0.50000 0.50000 0.50000 1.000 1.729 P 0.00000 0.00000 0.30890 0.900 1.958 Si 0.00000 0.00000 0.30890 0.100 1.958 O 0.00000 0.00000 0.40250 1.000 2.606 O 0.21300 -0.21300 0.94360 1.000 1.816 O 0.12340 -0.12340 0.13510 1.000 1.816 H 0.19200 -0.19200 0.11700 1.000 1.579 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 32.14655719 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.52 92.38 5.7092 1 0 1 16.19 7.37 5.4740 0 0 3 18.14 2.92 4.8909 0 1 2 25.33 47.77 3.5155 1 1 0 26.18 9.39 3.4040 1 0 4 29.85 1.62 2.9935 0 2 1 30.21 100.00 2.9580 1 1 3 30.93 1.41 2.8907 0 1 5 31.34 10.22 2.8546 2 0 2 32.72 9.95 2.7370 0 0 6 36.75 10.82 2.4455 0 2 4 39.54 7.64 2.2792 2 1 1 40.40 8.69 2.2328 2 0 5 40.72 18.62 2.2160 1 2 2 41.24 29.97 2.1891 1 0 7 41.83 7.03 2.1596 1 1 6 44.65 1.92 2.0297 3 0 0 45.17 6.46 2.0075 2 1 4 46.70 1.32 1.9452 0 1 8 47.79 23.93 1.9031 0 3 3 47.79 2.71 1.9031 3 0 3 48.29 2.67 1.8848 1 2 5 52.03 18.16 1.7578 2 2 0 53.87 2.51 1.7020 2 0 8 54.63 1.58 1.6799 1 3 1 54.86 1.20 1.6736 2 2 3 55.97 3.48 1.6429 2 1 7 56.44 1.14 1.6303 3 0 6 56.44 1.09 1.6303 0 3 6 56.85 3.88 1.6195 1 1 9 58.18 1.30 1.5855 1 0 10 61.77 3.78 1.5019 3 1 5 62.00 2.84 1.4968 0 4 2 62.83 6.21 1.4790 2 2 6 64.47 9.74 1.4453 0 2 10 65.38 2.29 1.4273 4 0 4 67.27 1.47 1.3919 3 2 1 68.45 2.88 1.3706 1 3 7 69.24 2.24 1.3569 0 3 9 70.93 2.13 1.3287 4 1 0 73.32 3.68 1.2912 4 1 3 73.32 1.94 1.2912 1 4 3 79.93 4.21 1.2003 3 2 7 81.81 1.77 1.1773 1 3 10 87.35 1.24 1.1164 4 0 10 88.24 1.76 1.1074 2 1 13 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.