Santaclaraite Ohashi Y, Finger L W American Mineralogist 66 (1981) 154-168 The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role of hydrogen atoms in the pyroxenoid structure Note: gamma angle revised according to Am Min 66 (1981) 1281 _database_code_amcsd 0000807 CELL PARAMETERS: 10.2730 11.9100 12.0010 105.770 110.640 89.130 SPACE GROUP: I-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1317.063 Density (g/cm3): 3.408 MAX. ABS. INTENSITY / VOLUME**2: 8.734851828 RIR: 0.834 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.55 7.42 9.2577 0 -1 1 2 11.52 30.70 7.6825 -1 1 0 2 12.59 58.67 7.0327 1 1 0 2 14.44 8.31 6.1361 1 0 1 2 15.71 1.25 5.6420 -1 -1 2 2 17.11 1.39 5.1838 -1 -2 1 2 18.53 19.93 4.7875 2 0 0 2 19.17 2.79 4.6288 -1 1 2 2 19.29 1.10 4.6009 -2 1 1 2 19.69 4.82 4.5085 -1 2 1 2 21.07 1.58 4.2169 1 -1 2 2 22.46 5.20 3.9594 0 -3 1 2 23.11 3.66 3.8494 -1 0 3 2 23.16 18.72 3.8413 -2 2 0 2 23.32 4.67 3.8137 -2 -2 2 2 23.50 1.88 3.7852 1 2 1 2 23.78 5.03 3.7418 0 -1 3 2 24.15 3.22 3.6847 -1 -2 3 2 24.39 1.23 3.6501 -1 3 0 2 24.57 1.82 3.6230 -2 -1 3 2 25.33 15.64 3.5164 2 2 0 2 25.49 7.30 3.4945 2 1 1 2 25.78 9.20 3.4557 0 2 2 2 25.96 1.38 3.4323 1 3 0 2 26.98 3.02 3.3043 0 3 1 2 27.15 10.40 3.2841 -2 2 2 2 27.61 1.11 3.2306 1 -3 2 2 28.35 53.83 3.1477 -3 1 0 2 28.59 9.83 3.1226 -3 1 2 2 28.68 2.61 3.1129 -2 -3 1 2 29.73 34.40 3.0048 3 1 0 2 29.81 61.36 2.9969 -2 3 1 2 29.85 3.66 2.9930 -1 -1 4 2 29.85 10.04 2.9929 2 -3 1 2 29.88 2.12 2.9901 2 -2 2 2 29.98 1.47 2.9801 -3 0 3 2 30.49 85.37 2.9320 -2 -3 3 2 30.58 3.32 2.9238 -3 -2 1 2 31.33 1.30 2.8547 -1 2 3 2 31.41 4.82 2.8478 -1 -4 1 2 31.41 1.55 2.8476 -1 3 2 2 31.67 4.89 2.8248 -3 -2 3 2 32.00 5.71 2.7965 3 0 1 2 32.49 2.45 2.7558 0 -2 4 2 33.29 100.00 2.6915 0 0 4 2 33.68 18.23 2.6611 -1 -4 3 2 34.19 6.66 2.6223 -1 1 4 2 34.26 2.10 2.6173 -3 -1 4 2 34.33 3.42 2.6123 -3 -3 2 2 34.42 23.86 2.6058 -1 4 1 2 34.61 4.07 2.5919 -2 -4 2 2 35.14 2.80 2.5540 -2 4 0 2 35.82 18.96 2.5071 2 3 1 2 36.07 1.17 2.4902 -3 2 3 2 36.16 4.22 2.4844 2 2 2 2 36.45 2.37 2.4652 1 -1 4 2 36.46 1.51 2.4645 -4 -1 1 2 37.10 3.80 2.4236 1 -4 3 2 37.37 1.15 2.4066 -3 3 2 2 37.43 1.46 2.4027 -3 1 4 2 37.56 1.71 2.3944 1 4 1 2 37.57 3.66 2.3938 4 0 0 2 37.92 1.47 2.3725 3 2 1 2 38.29 23.03 2.3508 2 -3 3 2 38.50 1.17 2.3382 -4 1 3 2 38.74 1.07 2.3246 -1 -5 2 2 38.91 1.37 2.3144 -2 2 4 2 38.97 1.59 2.3111 -2 -4 4 2 39.74 1.08 2.2683 0 4 2 2 40.27 30.06 2.2393 -3 -4 3 2 40.35 20.63 2.2351 -4 0 4 2 40.85 12.51 2.2092 1 1 4 2 41.11 36.01 2.1959 -3 4 1 2 41.34 1.27 2.1842 -3 -4 1 2 41.88 14.68 2.1572 -4 -3 3 2 42.18 1.38 2.1425 -2 -5 3 2 42.23 7.32 2.1400 -4 3 1 2 42.76 3.40 2.1146 0 5 1 2 42.89 2.16 2.1085 2 -2 4 2 43.22 2.11 2.0933 -1 -5 4 2 44.07 3.56 2.0548 -2 5 1 2 44.17 21.49 2.0504 2 0 4 2 44.46 4.02 2.0379 -4 -1 5 2 44.65 1.90 2.0294 1 -2 5 2 44.86 1.48 2.0204 -5 0 3 2 45.84 2.27 1.9797 0 -6 2 2 47.24 1.32 1.9239 -1 -6 3 2 47.43 1.12 1.9168 -5 1 0 2 48.40 2.51 1.8807 -3 -3 6 2 48.52 1.43 1.8764 2 3 3 2 48.73 1.85 1.8685 3 3 2 2 48.75 4.82 1.8681 3 -4 3 2 48.95 4.37 1.8607 3 4 1 2 49.57 1.23 1.8388 3 -5 2 2 49.75 2.88 1.8328 2 5 1 2 50.20 2.63 1.8173 -5 -3 2 2 50.23 4.11 1.8164 0 -6 4 2 50.37 4.14 1.8115 3 -1 4 2 50.77 1.68 1.7982 -5 3 2 2 51.03 1.19 1.7898 2 2 4 2 51.09 1.61 1.7877 -3 1 6 2 51.18 4.45 1.7850 4 3 1 2 51.24 1.02 1.7830 3 5 0 2 51.52 8.58 1.7738 -2 3 5 2 51.65 1.45 1.7697 2 -3 5 2 53.46 1.22 1.7140 -1 -5 6 2 53.78 3.96 1.7046 4 -3 3 2 53.84 10.27 1.7027 -5 -4 3 2 54.24 23.83 1.6912 -2 -3 7 2 54.24 2.62 1.6911 -2 2 6 2 54.41 4.93 1.6864 3 1 4 2 54.60 12.72 1.6808 -1 -7 2 2 54.63 1.93 1.6801 0 3 5 2 54.67 15.26 1.6790 -5 4 1 2 54.81 1.36 1.6749 -4 -5 1 2 55.03 9.31 1.6687 1 -7 2 2 55.13 3.93 1.6660 -3 6 1 2 55.28 7.81 1.6618 -6 0 4 2 55.48 1.48 1.6562 4 1 3 2 55.82 1.87 1.6470 -4 3 5 2 57.08 7.65 1.6135 -1 -4 7 2 57.24 4.20 1.6093 -3 -4 7 2 57.72 1.71 1.5972 -4 -3 7 2 57.77 6.60 1.5958 6 0 0 2 57.89 1.01 1.5929 5 -3 2 2 58.11 1.02 1.5873 0 2 6 2 58.39 12.75 1.5804 -1 4 5 2 58.42 4.09 1.5797 -6 -3 3 2 58.71 7.07 1.5727 -3 4 5 2 59.18 2.46 1.5613 -6 2 4 2 59.19 1.01 1.5610 -5 -5 4 2 59.37 5.23 1.5568 -6 3 1 2 59.38 1.28 1.5565 -4 -6 2 2 59.89 1.23 1.5445 3 0 5 2 59.95 4.15 1.5430 0 -6 6 2 60.34 5.45 1.5340 4 0 4 2 60.47 1.13 1.5309 -6 -3 5 2 60.87 1.01 1.5218 -5 -2 7 2 60.93 1.40 1.5204 -3 -7 4 2 61.20 4.22 1.5143 -3 -7 2 2 61.72 1.08 1.5028 -3 6 3 2 62.40 10.10 1.4883 0 -8 2 2 62.40 3.71 1.4881 3 -7 2 2 63.11 4.19 1.4732 -1 7 2 2 63.40 1.33 1.4671 -7 0 3 2 63.76 3.09 1.4597 1 -4 7 2 63.98 3.57 1.4552 -1 -7 6 2 64.22 1.38 1.4503 -5 -4 7 2 64.30 1.08 1.4488 -7 -1 4 2 64.41 2.17 1.4465 2 3 5 2 64.60 3.19 1.4428 -2 5 5 2 64.85 2.28 1.4378 1 4 5 2 65.33 13.24 1.4284 5 -4 3 2 65.36 13.06 1.4278 5 4 1 2 65.36 7.27 1.4277 -7 1 4 2 65.73 2.87 1.4207 -5 4 5 2 65.84 2.23 1.4185 -3 7 2 2 65.93 3.16 1.4169 -3 -7 6 2 66.10 1.04 1.4136 -5 3 6 2 66.21 8.22 1.4115 -4 0 8 2 66.57 1.29 1.4048 -6 3 5 2 66.93 1.45 1.3981 -7 -2 5 2 66.94 3.00 1.3978 1 7 2 2 67.67 1.69 1.3846 -3 1 8 2 67.67 1.42 1.3845 -6 -3 7 2 68.04 2.53 1.3779 2 -3 7 2 68.33 2.20 1.3727 -7 1 0 2 68.55 2.79 1.3690 1 -7 6 2 69.90 2.85 1.3457 0 0 8 2 70.09 1.05 1.3426 6 4 0 2 70.17 2.52 1.3412 6 3 1 2 71.85 3.40 1.3139 0 -8 6 2 72.03 1.04 1.3111 -2 2 8 2 72.78 1.13 1.2994 7 0 1 2 72.92 1.30 1.2972 -3 6 5 2 72.95 2.90 1.2968 6 -3 3 2 73.31 5.25 1.2913 0 8 2 2 73.76 1.57 1.2846 0 -6 8 2 73.86 1.31 1.2831 -3 0 9 2 73.88 2.50 1.2828 -6 0 8 2 74.14 2.85 1.2790 -8 0 4 2 75.99 1.26 1.2523 -4 -8 6 2 76.86 4.08 1.2403 3 7 2 2 77.53 1.29 1.2312 2 7 3 2 77.95 1.58 1.2257 -4 8 2 2 79.10 5.51 1.2107 3 -7 6 2 80.20 1.88 1.1969 8 0 0 2 80.90 2.09 1.1883 2 0 8 2 82.16 2.40 1.1732 -7 1 8 2 89.20 1.47 1.0980 -6 8 2 2 89.32 2.53 1.0968 -7 7 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.