Manganoquadratite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090021 Bonazzi P, Keutsch F N, Bindi L American Mineralogist 97 (2012) 1199-1205 Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure Locality: Uchucchacua polymetallic deposit, Lima Department, Peru _database_code_amcsd 0019063 CELL PARAMETERS: 5.5325 5.5325 33.2580 90.000 90.000 90.000 SPACE GROUP: P4_322 ATOM X Y Z OCCUPANCY ISO(B) Ag 0.73660 0.23440 0.03502 1.000 2.787 Mn 0.21530 0.21530 0.12500 1.000 1.816 Mn 0.71050 0.71050 0.12500 1.000 2.132 As 0.23810 0.73800 0.04808 0.810 1.650 As 0.23810 0.73800 0.04808 0.190 1.650 S 0.19590 0.70020 0.11962 1.000 1.990 S 0.66710 0.70900 0.04910 1.000 2.369 S 0.21100 0.16330 0.04770 1.000 2.290 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 30 MAX. ABS. INTENSITY / VOLUME**2: 51.85729447 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.64 5.11 8.3145 0 0 4 16.24 5.09 5.4575 1 0 1 16.89 1.90 5.2496 1 0 2 17.92 9.27 4.9503 1 0 3 20.88 1.03 4.2535 1 0 5 21.37 1.66 4.1572 0 0 8 23.36 4.10 3.8081 1 1 2 24.70 13.27 3.6044 1 0 7 27.91 66.12 3.1962 1 1 6 29.06 3.52 3.0729 1 0 9 32.30 51.93 2.7715 0 0 12 32.36 100.00 2.7662 2 0 0 32.48 14.42 2.7567 2 0 1 33.38 2.40 2.6840 2 0 3 33.78 1.18 2.6531 1 0 11 34.16 1.78 2.6248 2 0 4 35.43 7.38 2.5339 1 1 10 36.41 1.75 2.4674 2 1 1 37.23 3.67 2.4148 2 1 3 38.78 4.52 2.3221 1 0 13 41.13 5.74 2.1945 2 1 7 44.05 2.25 2.0559 2 1 9 44.39 3.59 2.0409 2 0 11 46.38 48.76 1.9579 2 0 12 46.42 24.07 1.9560 2 2 0 46.51 5.97 1.9527 2 2 1 46.76 1.14 1.9426 2 2 2 48.47 3.42 1.8782 2 0 13 49.41 3.08 1.8444 1 0 17 51.37 3.38 1.7785 2 1 13 52.60 1.81 1.7399 3 1 2 54.96 5.37 1.6707 1 1 18 55.02 3.54 1.6689 1 0 19 55.04 21.53 1.6684 3 1 6 55.99 2.20 1.6423 2 2 11 57.68 17.12 1.5981 2 2 12 59.49 2.14 1.5539 2 2 13 59.72 2.12 1.5484 3 1 10 60.31 1.99 1.5346 2 1 17 65.30 3.16 1.4290 2 1 19 67.60 1.73 1.3857 0 0 24 67.75 3.42 1.3831 4 0 0 67.82 2.41 1.3819 4 0 1 74.72 4.06 1.2704 3 1 18 74.79 3.55 1.2694 3 3 6 75.60 1.18 1.2578 4 0 11 76.96 3.25 1.2390 2 0 24 77.06 3.28 1.2376 4 0 12 77.10 3.49 1.2371 4 2 0 77.16 2.31 1.2362 4 2 1 78.64 1.23 1.2167 4 0 13 83.84 1.11 1.1539 3 2 19 84.65 1.30 1.1450 4 2 11 85.97 1.72 1.1307 2 2 24 86.07 3.71 1.1297 4 2 12 87.61 1.29 1.1137 4 2 13 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.