Niobophyllite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R110048 Camara F, Sokolova E, Abdu Y, Hawthorne F C The Canadian Mineralogist 48 (2010) 1-16 The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich astrophyllite: Revisions to the crystal chemistry of the astrophyllite-group minerals Locality: Seal Lake, Labrador, Canada _database_code_amcsd 0006309 CELL PARAMETERS: 5.3540 11.8360 11.6220 113.030 94.470 103.270 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) K 0.13820 0.27620 0.99610 0.900 4.437 Cs 0.13820 0.27620 0.99610 0.020 4.437 Na 0.50000 0.00000 0.00000 1.000 1.848 Mn 0.85126 0.20540 0.47941 0.500 0.750 Fe 0.85126 0.20540 0.47941 0.370 0.750 Mn 0.27875 0.06798 0.48781 0.250 0.782 Fe 0.27875 0.06798 0.48781 0.730 0.782 Fe 0.42066 0.35128 0.48479 0.670 0.821 Mn 0.42066 0.35128 0.48479 0.140 0.821 Fe 0.42066 0.35128 0.48479 0.130 0.821 Fe 0.00000 0.50000 0.50000 0.500 0.726 Fe 0.00000 0.50000 0.50000 0.300 0.726 Mn 0.00000 0.50000 0.50000 0.200 0.726 Nb 0.07425 0.08160 0.18633 0.730 0.636 Ti 0.07425 0.08160 0.18633 0.270 0.636 Si 0.67860 0.27391 0.23318 0.970 0.687 Al 0.67860 0.27391 0.23318 0.030 0.687 Si 0.81480 0.54744 0.25427 0.970 0.979 Al 0.81480 0.54744 0.25427 0.030 0.979 Si 0.37960 0.67519 0.25707 0.970 0.924 Al 0.37960 0.67519 0.25707 0.030 0.924 Si 0.50660 0.93104 0.23737 0.970 0.647 Al 0.50660 0.93104 0.23737 0.030 0.647 O 0.72540 0.31940 0.38530 1.000 0.766 O 0.14620 0.15970 0.36870 1.000 1.026 O 0.12750 0.39120 0.59350 1.000 0.908 Oh 0.29950 0.46390 0.40270 1.000 1.074 Oh 0.99120 0.11690 0.59160 1.000 1.066 O 0.55810 0.25690 0.58930 1.000 1.011 O 0.57190 0.01410 0.38990 1.000 0.845 O 0.07390 0.59050 0.20120 1.000 2.156 O 0.24750 0.04230 0.82490 1.000 3.948 O 0.42750 0.41370 0.79990 1.000 2.148 O 0.12760 0.80530 0.82890 1.000 3.790 O 0.26610 0.95700 0.17310 1.000 3.869 O 0.26750 0.60630 0.80620 1.000 2.124 O 0.57420 0.22190 0.80230 1.000 2.266 O 0.38480 0.19390 0.17000 1.000 3.695 O 0.00000 0.00000 0.00000 0.730 0.884 OH 0.00000 0.00000 0.00000 0.130 0.884 F 0.00000 0.00000 0.00000 0.130 0.884 H 0.26900 0.42200 0.30980 1.000 1.285 H 1.02100 0.15500 0.68440 1.000 1.279 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 19.81569701 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.42 100.00 10.5065 0 0 1 8.46 49.18 10.4461 0 1 0 9.08 22.69 9.7403 0 -1 1 15.44 11.61 5.7401 0 -2 1 16.98 1.62 5.2230 0 2 0 17.80 1.22 4.9839 -1 0 1 19.14 1.41 4.6371 -1 1 1 20.32 10.95 4.3710 -1 -1 1 20.57 6.22 4.3185 -1 2 0 20.68 2.02 4.2959 1 0 1 20.69 5.39 4.2923 1 -2 1 21.39 1.05 4.1548 1 1 0 21.86 1.19 4.0665 -1 0 2 21.97 5.90 4.0462 0 2 1 23.13 1.28 3.8448 0 -1 3 23.72 4.04 3.7508 -1 2 1 23.80 1.16 3.7391 1 -1 2 23.89 5.69 3.7244 0 -2 3 24.05 4.34 3.6998 1 -2 2 24.28 1.09 3.6661 -1 1 2 25.43 37.05 3.5022 0 0 3 25.45 9.49 3.5000 1 1 1 25.48 1.68 3.4961 1 -3 1 25.58 2.52 3.4820 0 3 0 25.63 3.07 3.4763 -1 -2 1 27.47 2.99 3.2468 0 -3 3 27.57 10.92 3.2356 -1 -1 3 28.74 2.96 3.1065 0 2 2 29.16 9.97 3.0620 -1 2 2 29.62 10.83 3.0159 1 -2 3 30.14 4.42 2.9651 0 1 3 30.17 1.61 2.9619 -1 3 1 30.25 1.11 2.9542 0 3 1 31.00 1.65 2.8851 0 -2 4 31.16 1.73 2.8701 0 -4 2 31.26 4.48 2.8616 1 -3 3 31.42 2.59 2.8470 0 -1 4 31.43 6.03 2.8460 1 1 2 31.63 1.48 2.8289 0 -4 1 31.95 3.49 2.8015 1 2 1 31.98 1.48 2.7986 1 -4 1 32.10 1.75 2.7880 -1 -3 2 32.42 22.07 2.7619 1 -4 2 32.47 20.23 2.7577 -1 -3 1 33.61 1.35 2.6667 -2 1 0 33.95 19.82 2.6404 -2 1 1 34.06 3.07 2.6326 -1 -1 4 34.14 11.00 2.6266 0 0 4 34.94 3.90 2.5679 -1 -2 4 35.04 20.14 2.5612 1 3 0 35.06 19.10 2.5598 1 -4 3 35.60 2.77 2.5218 -1 3 2 36.43 15.55 2.4666 -2 1 2 37.65 5.75 2.3890 -1 4 1 37.89 5.69 2.3747 -1 -3 4 39.20 3.35 2.2981 2 -1 2 39.43 5.09 2.2851 1 3 1 39.51 4.73 2.2806 1 -4 4 40.69 6.73 2.2172 -2 1 3 41.04 2.00 2.1993 2 -4 1 41.31 1.89 2.1855 -2 -2 2 41.53 1.78 2.1745 -2 -2 1 41.84 1.19 2.1593 -2 4 0 42.10 1.18 2.1462 2 -4 2 43.01 2.47 2.1028 -1 4 2 43.05 3.26 2.1013 0 0 5 43.28 2.14 2.0904 -1 -3 5 44.47 4.08 2.0375 2 -1 3 45.22 3.02 2.0052 1 3 2 45.35 3.15 1.9999 1 -4 5 45.80 1.66 1.9812 -1 5 1 46.33 1.14 1.9599 2 -5 1 46.35 1.43 1.9590 -2 1 4 46.39 1.52 1.9573 -2 -3 2 46.58 1.23 1.9499 2 -5 2 46.78 1.26 1.9419 -1 -4 5 47.52 1.89 1.9134 0 -6 3 51.58 1.80 1.7720 1 -3 6 52.06 6.27 1.7568 1 3 3 52.22 6.04 1.7517 1 -4 6 52.24 1.31 1.7511 0 0 6 52.34 1.83 1.7481 2 -6 2 52.60 1.34 1.7400 1 2 4 52.66 1.09 1.7381 -2 -4 2 52.71 1.20 1.7365 -2 -4 3 53.07 7.00 1.7255 -2 1 5 55.87 10.17 1.6457 0 -7 3 56.02 1.02 1.6415 -3 3 2 56.06 1.06 1.6404 2 -6 4 56.21 1.06 1.6364 3 0 1 56.56 1.39 1.6271 0 -7 2 56.80 1.45 1.6210 -2 2 5 56.94 2.88 1.6171 -1 4 4 57.04 1.32 1.6146 -1 -2 7 57.08 1.11 1.6136 2 4 0 57.26 2.96 1.6090 -1 -3 7 57.34 1.22 1.6069 -2 -4 5 57.98 1.07 1.5907 -2 0 6 58.23 2.76 1.5845 2 -1 5 58.77 7.75 1.5711 3 -5 1 58.96 7.62 1.5666 -3 -2 2 59.44 1.48 1.5550 -3 5 0 59.54 1.43 1.5527 3 -5 2 59.67 1.28 1.5495 -3 -2 3 59.68 1.61 1.5494 -3 -2 1 60.09 1.08 1.5397 1 4 3 62.19 1.23 1.4928 2 0 5 62.47 1.04 1.4866 0 -7 6 63.85 1.03 1.4578 -2 -2 7 64.94 1.61 1.4359 -1 5 4 65.15 1.75 1.4319 -1 4 5 65.48 1.50 1.4255 -1 -3 8 66.38 1.83 1.4083 2 -1 6 66.47 1.38 1.4066 -1 -4 8 66.86 2.10 1.3993 2 -8 2 67.15 2.42 1.3940 -2 -6 4 68.36 1.93 1.3722 2 -8 1 68.73 1.60 1.3657 -2 -6 5 70.64 2.66 1.3334 -4 2 0 72.19 2.15 1.3085 4 -2 1 73.80 1.57 1.2840 -4 2 3 80.39 1.55 1.1945 -2 8 2 80.98 1.35 1.1873 -2 -6 8 84.27 1.83 1.1491 4 -2 4 88.12 1.12 1.1086 -4 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.