Katoptrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140009 Moore P B, Araki T, Brunton G D Neues Jahrbuch fur Mineralogie, Abhandlungen 127 (1976) 47-61 Catoptrite, (Mn2+5Sb5+2)VI(Mn2+8Al4Si2)IVO28, a novel close-packed oxide sheet structure Locality: Langban, Sweden _database_code_amcsd 0014705 CELL PARAMETERS: 5.5950 22.9790 9.0930 90.000 101.050 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.00000 0.00000 1.000 1.168 Mn 0.00000 0.28670 0.00000 1.000 2.158 Mn 0.00000 0.42710 0.00000 1.000 1.637 Sb 0.00000 0.14180 0.00000 1.000 0.954 Mn 0.78400 0.14360 0.36300 1.000 1.710 Mn 0.27780 0.06980 0.34470 1.000 6.691 Al 0.27390 0.21430 0.33410 1.000 2.411 Si 0.77020 0.00000 0.32100 1.000 1.426 O 0.69350 0.00000 0.12390 1.000 1.806 O 0.19930 0.07580 0.11550 1.000 2.091 O 0.73200 0.14180 0.11960 1.000 1.901 O 0.18960 0.20910 0.11730 1.000 1.760 O 0.06670 0.00000 0.35270 1.000 3.101 O 0.64760 0.06130 0.37940 1.000 3.095 O 0.59900 0.22160 0.36540 1.000 3.501 O 0.16070 0.14860 0.39610 1.000 2.576 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 21 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 22.06269782 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.69 1.27 11.4895 0 2 0 9.91 36.21 8.9244 0 0 1 12.56 2.86 7.0480 0 2 1 15.42 22.14 5.7448 0 4 0 16.60 7.03 5.3409 1 1 0 17.69 6.08 5.0131 -1 1 1 18.37 1.81 4.8305 0 4 1 19.89 12.33 4.4629 1 3 0 19.90 30.41 4.4622 0 0 2 20.92 2.62 4.2473 1 1 1 21.36 1.69 4.1595 0 2 2 23.23 1.46 3.8298 0 6 0 23.48 2.36 3.7895 -1 1 2 23.64 7.73 3.7639 1 3 1 25.27 9.63 3.5240 0 4 2 25.31 1.08 3.5194 0 6 1 25.94 14.88 3.4343 -1 3 2 26.02 1.18 3.4251 -1 5 1 28.35 1.40 3.1478 1 1 2 30.04 100.00 2.9748 0 0 3 30.77 1.46 2.9062 0 6 2 31.76 74.94 2.8176 1 7 0 32.22 41.13 2.7782 -2 0 1 32.37 5.42 2.7661 -1 7 1 32.61 3.05 2.7456 2 0 0 32.75 1.06 2.7342 0 8 1 33.94 2.91 2.6416 0 4 3 34.30 79.79 2.6141 1 7 1 34.93 34.25 2.5684 -2 0 2 35.91 2.41 2.5011 -2 4 1 35.98 42.44 2.4958 -1 7 2 36.02 20.87 2.4934 2 0 1 37.24 1.21 2.4146 1 1 3 38.39 2.43 2.3448 -2 4 2 38.91 2.69 2.3145 1 3 3 39.20 2.87 2.2979 0 10 0 39.39 7.40 2.2872 2 4 1 39.47 8.03 2.2832 1 7 2 40.20 4.04 2.2433 -2 0 3 40.43 2.87 2.2311 0 0 4 41.80 9.80 2.1609 2 0 2 41.94 18.71 2.1542 -1 7 3 44.34 1.13 2.0429 0 10 2 46.52 38.61 1.9521 1 7 3 47.32 19.44 1.9211 -2 0 4 48.40 2.84 1.8808 1 11 1 49.68 2.49 1.8353 -1 11 2 50.07 3.32 1.8219 -2 4 4 50.17 1.96 1.8185 0 10 3 50.36 2.14 1.8119 -3 3 1 51.18 3.22 1.7849 0 0 5 51.62 1.27 1.7707 -2 10 1 52.14 2.51 1.7541 -1 3 5 53.78 2.44 1.7045 0 4 5 54.29 2.14 1.6897 2 10 1 54.95 13.65 1.6710 1 7 4 55.79 5.46 1.6477 -2 0 5 56.03 20.88 1.6414 0 14 0 56.78 39.45 1.6215 -3 7 1 57.05 1.58 1.6143 0 14 1 57.66 1.93 1.5987 3 7 0 57.93 1.15 1.5920 -3 7 2 58.05 12.34 1.5889 2 0 4 58.26 1.51 1.5836 1 11 3 58.42 24.31 1.5797 -1 7 5 60.06 2.53 1.5404 0 14 2 60.15 1.34 1.5384 -3 3 4 60.45 2.48 1.5314 2 4 4 60.52 2.21 1.5298 3 7 1 61.03 2.76 1.5182 -3 7 3 62.44 5.24 1.4874 0 0 6 63.08 1.01 1.4739 -2 10 4 64.88 11.90 1.4371 0 14 3 65.20 11.58 1.4309 3 7 2 65.94 11.30 1.4166 -3 7 4 66.12 5.71 1.4132 -2 14 1 66.31 1.54 1.4096 0 10 5 66.95 2.12 1.3977 -4 0 1 67.75 6.98 1.3831 -2 14 2 67.90 2.21 1.3804 2 0 5 68.33 3.90 1.3728 4 0 0 68.36 4.36 1.3723 -1 7 6 68.43 5.09 1.3710 2 14 1 68.80 1.09 1.3645 -1 11 5 69.72 2.52 1.3487 -4 0 3 72.29 2.33 1.3070 2 14 2 72.30 1.02 1.3069 2 10 4 74.06 1.14 1.2801 3 3 4 75.09 2.49 1.2650 1 7 6 76.04 1.16 1.2516 -2 0 7 76.31 5.49 1.2479 -2 14 4 76.40 2.34 1.2467 4 0 2 79.30 1.24 1.2082 0 14 5 79.36 1.03 1.2073 3 7 4 80.50 1.48 1.1931 -3 7 6 82.91 1.65 1.1645 4 0 3 83.05 2.51 1.1629 -2 14 5 84.95 5.01 1.1416 2 14 4 86.84 2.39 1.1216 -4 0 6 87.43 1.56 1.1156 0 0 8 88.72 2.70 1.1026 3 7 5 88.77 2.67 1.1022 0 14 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.