Armangite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the single crystal data of R100054 Moore P B, Araki T American Mineralogist 64 (1979) 748-757 Armangite, Mn26[As6(OH)4O14][As6O18]2[CO3], a fluorite derivative structure _database_code_amcsd 0000738 CELL PARAMETERS: 13.5023 13.5023 8.8854 90.000 90.000 120.000 SPACE GROUP: P-3 ATOM X Y Z OCCUPANCY ISO(B) C 0.00000 0.00000 0.00000 1.000 1.012 Mn 0.33333 0.66667 0.30314 1.000 0.817 Mn 0.33535 0.16007 0.30385 1.000 0.807 Mn 0.33164 0.41219 0.31632 1.000 1.152 Mn 0.09437 0.41460 0.35678 1.000 1.072 Mn 0.25044 0.24126 -0.00272 1.000 1.573 As 0.09897 0.18907 0.34454 1.000 0.840 As 0.58542 0.17085 0.37161 1.000 0.838 As 0.29352 0.49418 0.00731 1.000 1.014 O 0.22140 0.22850 0.23360 1.000 1.026 O 0.02310 0.24270 0.23970 1.000 1.004 O 0.17250 0.31750 0.45490 1.000 1.124 O 0.44250 0.07600 0.32700 1.000 1.235 O 0.57610 0.17060 0.57600 1.000 1.279 O 0.65400 0.08810 0.37500 1.000 1.262 O 0.38550 0.43980 0.06760 1.000 1.653 O 0.24250 0.49610 0.19160 1.000 1.380 O 0.18440 0.35880 0.94270 1.000 1.011 O 0.11150 0.05200 0.00000 0.500 1.936 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 53.69483603 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.95 6.87 8.8854 0 0 1 12.51 2.53 7.0747 0 1 1 15.15 10.66 5.8467 2 0 0 18.16 1.58 4.8842 0 2 1 18.16 3.88 4.8842 2 0 1 20.09 2.96 4.4197 1 2 0 20.09 1.57 4.4197 2 1 0 21.40 2.67 4.1531 1 0 2 22.47 11.43 3.9572 -1 3 1 22.47 2.36 3.9572 2 1 1 22.47 1.46 3.9572 3 -1 1 22.81 2.33 3.8978 3 0 0 25.18 2.44 3.5373 0 2 2 25.18 2.09 3.5373 2 0 2 26.40 3.11 3.3756 2 2 0 27.50 2.43 3.2431 1 3 0 28.49 1.34 3.1333 1 2 2 28.49 2.68 3.1333 2 1 2 28.49 2.42 3.1333 3 -1 2 29.32 1.42 3.0466 -1 4 1 29.32 2.44 3.0466 1 3 1 29.32 4.30 3.0466 3 1 1 30.17 43.99 2.9618 0 0 3 30.58 2.53 2.9233 4 0 0 32.24 99.94 2.7769 0 4 1 33.34 1.00 2.6878 4 -2 2 33.40 1.30 2.6826 3 2 0 33.93 2.16 2.6421 2 0 3 34.23 1.16 2.6195 1 3 2 34.23 2.75 2.6195 4 -1 2 36.64 1.15 2.4526 5 -1 1 36.80 2.10 2.4421 0 4 2 36.80 33.84 2.4421 4 0 2 39.23 1.63 2.2965 2 3 2 39.23 1.87 2.2965 3 2 2 40.52 1.41 2.2263 4 -2 3 42.14 2.12 2.1445 -2 6 1 42.14 3.50 2.1445 2 4 1 43.50 2.03 2.0806 4 0 3 43.59 2.76 2.0765 0 2 4 45.63 1.03 1.9883 -2 5 3 45.71 1.42 1.9848 -1 3 4 47.78 1.50 1.9036 6 0 1 51.18 1.22 1.7847 0 6 2 51.68 22.45 1.7687 0 4 4 54.36 21.41 1.6878 4 4 0 54.79 1.23 1.6754 1 4 4 54.97 1.56 1.6705 5 3 0 55.41 1.55 1.6581 8 -4 1 55.41 1.73 1.6581 4 4 1 58.71 1.24 1.5725 2 2 5 58.71 1.84 1.5725 4 -2 5 58.96 1.44 1.5666 -2 6 4 58.96 2.31 1.5666 2 4 4 59.30 1.34 1.5585 4 -1 5 61.02 7.47 1.5185 4 0 5 62.74 1.79 1.4809 0 0 6 63.43 6.37 1.4664 8 -4 3 63.43 6.16 1.4664 4 4 3 63.50 1.35 1.4650 6 0 4 63.99 1.71 1.4550 -3 8 3 64.62 6.19 1.4423 8 0 1 67.45 3.48 1.3885 0 8 2 74.72 1.05 1.2705 8 -1 4 78.30 2.60 1.2210 8 0 4 82.92 1.14 1.1643 0 4 7 86.14 1.41 1.1289 0 8 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.