Melanophlogite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110071 Tribaudino M, Artoni A, Mavris C, Bersani D, Lottici P P, Belletti D American Mineralogist 93 (2008) 88-94 Single-crystal X-ray and Raman investigation on melanophlogite from Varano Marchesi (Parma, Italy) Locality: Case Montanini, Varano Marchesi, Parma, Italy _database_code_amcsd 0004493 CELL PARAMETERS: 13.4090 13.4090 13.4090 90.000 90.000 90.000 SPACE GROUP: Pm3n ATOM X Y Z OCCUPANCY ISO(B) Si 0.00000 0.31079 0.11425 1.000 2.677 Si 0.18264 0.18264 0.18264 1.000 2.416 Si 0.25000 0.00000 0.50000 1.000 1.650 O 0.09616 0.24660 0.13592 1.000 5.590 O 0.00000 0.40601 0.18121 1.000 7.067 O 0.34414 0.00000 0.00000 1.000 3.206 O 0.25000 0.25000 0.25000 1.000 7.106 C 0.00000 0.00000 0.00000 0.710 6.474 C 0.50000 0.00000 0.25000 0.910 23.924 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 11.91537763 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.33 7.60 9.4816 1 1 0 13.21 15.56 6.7045 2 0 0 14.77 100.00 5.9967 2 1 0 16.19 77.31 5.4742 2 1 1 20.95 3.10 4.2403 3 1 0 22.98 34.88 3.8708 2 2 2 23.93 21.38 3.7190 3 2 0 24.84 86.65 3.5837 3 2 1 26.59 2.13 3.3523 4 0 0 27.42 23.43 3.2522 4 1 0 28.24 14.87 3.1605 3 3 0 28.24 1.20 3.1605 4 1 1 30.55 11.64 2.9261 4 2 1 31.29 4.17 2.8588 3 3 2 32.72 1.61 2.7371 4 2 2 33.41 2.11 2.6818 4 3 0 34.09 1.14 2.6297 5 1 0 36.07 8.86 2.4900 4 3 2 37.96 1.26 2.3704 4 4 0 39.17 7.18 2.2996 5 3 0 39.17 3.10 2.2996 4 3 3 39.77 2.36 2.2665 5 3 1 40.36 3.50 2.2348 6 0 0 41.51 4.57 2.1752 5 3 2 43.75 3.34 2.0691 5 4 1 45.37 1.79 1.9989 5 4 2 45.90 2.56 1.9770 6 3 1 46.95 2.80 1.9354 4 4 4 47.97 1.56 1.8963 5 5 0 49.98 2.07 1.8247 6 3 3 53.36 2.43 1.7168 6 4 3 53.36 3.18 1.7168 6 5 0 53.83 1.84 1.7029 6 5 1 55.69 1.37 1.6505 5 5 4 55.69 1.65 1.6505 8 1 1 57.50 2.62 1.6027 6 5 3 58.40 2.64 1.5803 8 2 2 59.28 1.21 1.5588 8 3 1 59.28 1.04 1.5588 7 4 3 60.16 1.03 1.5381 6 6 2 64.44 1.79 1.4459 6 5 5 66.11 1.59 1.4134 9 3 0 66.11 2.83 1.4134 8 5 1 68.57 1.01 1.3686 8 4 4 69.38 2.36 1.3545 8 5 3 70.59 1.41 1.3342 9 4 2 71.79 1.46 1.3149 8 6 2 80.00 2.12 1.1993 8 6 5 80.38 1.66 1.1946 9 6 3 83.45 1.53 1.1584 11 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.