Schorl
Grice J D, Ercit T S
Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
Sample: Schorl CROSS
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0018786
CELL PARAMETERS: 15.9720 15.9720 7.1600 90.000 90.000 120.000
SPACE GROUP: R3m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1581.839
Density (g/cm3): 3.192
MAX. ABS. INTENSITY / VOLUME**2: 9.884569170
RIR: 1.008
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.93 64.21 6.3586 1 0 1 3
17.83 16.38 4.9744 0 2 1 3
19.25 11.43 4.6107 3 0 0 3
21.04 54.70 4.2223 2 1 1 6
22.26 69.01 3.9930 2 2 0 6
25.70 57.87 3.4658 0 1 2 3
26.36 4.07 3.3815 1 3 1 6
28.07 2.25 3.1793 2 0 2 3
28.67 1.32 3.1139 4 0 1 3
29.60 5.98 3.0184 4 1 0 6
30.26 47.25 2.9538 1 2 2 6
30.82 7.82 2.9011 3 2 1 6
34.26 4.12 2.6174 3 1 2 6
34.76 100.00 2.5805 0 5 1 3
36.11 2.28 2.4872 0 4 2 3
36.60 3.94 2.4555 2 4 1 6
37.69 6.74 2.3867 0 0 3 1
37.89 14.47 2.3747 2 3 2 6
38.35 12.28 2.3471 5 1 1 6
39.07 3.12 2.3054 6 0 0 3
40.74 3.12 2.2149 5 2 0 6
41.24 16.34 2.1890 5 0 2 3
41.67 9.73 2.1673 4 3 1 6
42.66 4.88 2.1195 0 3 3 3
42.66 5.42 2.1195 3 0 3 3
42.84 2.96 2.1111 4 2 2 6
44.21 9.20 2.0486 2 2 3 6
44.38 39.02 2.0410 1 5 2 6
44.79 8.65 2.0234 1 6 1 6
45.43 2.72 1.9965 4 4 0 6
47.36 22.48 1.9195 3 4 2 6
47.75 2.79 1.9048 3 5 1 6
48.63 8.96 1.8721 1 4 3 6
49.17 7.40 1.8528 6 2 1 6
49.77 1.94 1.8321 7 1 0 6
50.20 2.18 1.8174 6 1 2 6
51.42 3.78 1.7770 3 3 3 6
52.83 2.60 1.7329 0 2 4 3
52.93 1.92 1.7300 5 3 2 6
54.25 2.68 1.6908 2 6 2 6
55.41 15.92 1.6581 0 6 3 3
55.41 4.93 1.6581 6 0 3 3
55.90 11.13 1.6447 2 7 1 6
57.72 15.91 1.5972 5 5 0 6
58.02 4.09 1.5897 4 0 4 3
58.11 2.37 1.5874 4 5 2 6
58.45 1.30 1.5791 8 1 1 6
59.27 1.05 1.5591 3 2 4 6
59.69 4.06 1.5491 4 6 1 6
60.21 3.77 1.5369 9 0 0 3
60.59 3.41 1.5282 7 2 2 6
60.92 2.05 1.5207 7 3 1 6
61.44 3.62 1.5092 8 2 0 6
61.72 13.87 1.5028 0 5 4 3
62.93 2.85 1.4769 2 4 4 6
63.02 1.17 1.4751 1 8 2 6
64.07 2.52 1.4533 1 7 3 6
64.12 14.48 1.4523 5 1 4 6
64.21 5.61 1.4506 6 4 2 6
65.02 4.17 1.4343 7 4 0 6
65.53 3.90 1.4244 0 1 5 3
65.70 1.16 1.4212 1 9 1 6
65.70 7.58 1.4212 6 5 1 6
66.43 1.52 1.4074 3 6 3 6
66.43 3.00 1.4074 6 3 3 6
66.47 9.80 1.4065 4 3 4 6
68.03 1.54 1.3782 3 8 1 6
69.17 9.79 1.3581 10 0 1 3
70.01 3.96 1.3440 5 6 2 6
70.79 3.45 1.3310 6 6 0 6
71.01 4.95 1.3274 5 5 3 6
71.06 2.82 1.3266 3 5 4 6
71.28 1.65 1.3230 0 4 5 3
71.92 7.98 1.3129 10 1 0 6
72.26 2.01 1.3074 8 3 2 6
72.40 2.38 1.3053 2 3 5 6
72.56 1.53 1.3028 5 7 1 6
73.25 1.02 1.2922 9 0 3 3
73.38 1.91 1.2903 0 10 2 3
73.68 1.31 1.2858 8 4 1 6
74.15 3.45 1.2788 9 3 0 6
74.37 2.08 1.2756 2 8 3 6
74.63 9.92 1.2717 5 0 5 3
75.52 2.02 1.2590 5 4 4 6
76.99 3.44 1.2385 0 11 1 3
77.67 1.00 1.2294 4 7 3 6
77.67 1.37 1.2294 7 4 3 6
77.79 1.17 1.2278 4 8 2 6
78.08 1.40 1.2239 2 10 1 6
79.02 2.05 1.2118 3 4 5 6
80.48 1.78 1.1933 0 0 6 1
81.19 1.21 1.1848 6 1 5 6
81.34 3.34 1.1829 11 1 1 6
83.72 1.13 1.1553 3 0 6 3
84.16 5.91 1.1503 10 1 3 6
85.35 1.51 1.1373 1 11 2 6
86.30 1.48 1.1272 9 3 3 6
88.00 1.25 1.1098 1 4 6 6
89.55 1.84 1.0945 10 0 4 3
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.