Boracite
Dowty E, Clark J R
Zeitschrift fur Kristallographie 138 (1973) 64-99
Crystal-structure refinements for orthorhombic boracite,
Mg3B7O13Cl, and a trigonal, iron-rich analogue
Locality: Solvayshall, Roschwitz, Germany
Note: [.25 .25 0] added to all atoms to move origin to screw axis
_database_code_amcsd 0010744
CELL PARAMETERS: 8.5496 8.5496 12.0910 90.000 90.000 90.000
SPACE GROUP: Pca2_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 883.799
Density (g/cm3): 2.946
MAX. ABS. INTENSITY / VOLUME**2: 7.796783885
RIR: 0.862
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.65 10.82 6.0455 0 0 2 1
14.65 18.97 6.0455 1 1 0 4
16.39 3.75 5.4072 1 1 1 4
20.78 2.08 4.2748 1 1 2 4
22.05 4.66 4.0303 2 0 1 2
25.52 35.31 3.4904 2 0 2 2
25.52 13.29 3.4904 0 2 2 2
26.58 2.66 3.3534 1 1 3 4
29.55 30.97 3.0227 0 0 4 1
29.55 61.15 3.0227 2 2 0 4
30.48 3.31 2.9325 2 0 3 2
33.13 20.17 2.7036 1 1 4 4
33.13 22.22 2.7036 2 2 2 4
33.13 12.70 2.7036 1 3 0 4
33.13 8.18 2.7036 3 1 0 4
33.98 2.56 2.6385 1 3 1 4
33.98 2.06 2.6385 3 1 1 4
36.40 6.36 2.4681 2 0 4 2
36.40 2.31 2.4681 0 2 4 2
36.40 11.40 2.4681 1 3 2 4
36.40 6.26 2.4681 3 1 2 4
42.28 27.03 2.1374 2 2 4 4
42.28 6.22 2.1374 0 4 0 2
42.28 7.14 2.1374 4 0 0 2
44.32 16.69 2.0438 2 1 5 4
44.32 16.72 2.0438 1 2 5 4
44.32 17.74 2.0437 2 3 3 4
44.32 15.52 2.0437 3 2 3 4
44.32 17.17 2.0437 4 1 1 4
44.32 16.16 2.0437 1 4 1 4
44.98 1.78 2.0152 0 0 6 1
45.64 4.26 1.9877 3 3 1 4
47.56 2.11 1.9118 1 1 6 4
47.56 1.24 1.9117 3 3 2 4
48.19 1.65 1.8883 4 2 1 4
50.04 6.38 1.8228 2 0 6 2
50.04 2.36 1.8228 0 2 6 2
50.04 9.38 1.8228 4 2 2 4
50.04 5.22 1.8228 2 4 2 4
50.65 1.16 1.8024 1 3 5 4
50.65 2.57 1.8024 3 3 3 4
52.43 11.81 1.7452 4 0 4 2
52.43 14.46 1.7452 0 4 4 2
53.02 1.87 1.7273 4 2 3 4
54.75 5.80 1.6767 2 2 6 4
54.75 3.77 1.6767 3 3 4 4
54.75 2.24 1.6767 1 5 0 4
54.75 1.58 1.6767 5 1 0 4
55.31 2.14 1.6608 1 5 1 4
55.31 1.06 1.6608 5 1 1 4
57.00 2.49 1.6157 1 3 6 4
57.00 1.93 1.6157 3 1 6 4
57.00 1.85 1.6157 2 4 4 4
57.00 1.73 1.6157 1 5 2 4
58.65 1.58 1.5741 2 1 7 4
58.65 1.54 1.5741 1 2 7 4
58.65 1.34 1.5741 3 4 3 4
58.65 1.70 1.5741 4 3 3 4
58.65 1.63 1.5741 5 2 1 4
58.65 1.55 1.5741 2 5 1 4
59.73 1.10 1.5481 3 3 5 4
59.73 1.90 1.5481 1 5 3 4
59.73 2.00 1.5481 5 1 3 4
61.34 1.68 1.5114 0 0 8 1
61.34 3.33 1.5114 4 4 0 4
61.87 1.14 1.4997 4 2 5 4
63.44 2.54 1.4662 1 1 8 4
63.44 2.39 1.4662 4 0 6 2
63.44 1.35 1.4662 0 4 6 2
63.44 2.17 1.4662 1 5 4 4
63.44 2.57 1.4662 5 1 4 4
63.44 2.57 1.4662 4 4 2 4
63.44 1.06 1.4662 5 3 0 4
63.44 1.66 1.4662 3 5 0 4
65.51 1.24 1.4249 3 5 2 4
67.03 1.03 1.3961 2 3 7 4
67.03 1.03 1.3961 3 2 7 4
67.03 1.13 1.3961 4 3 5 4
67.03 1.07 1.3961 6 1 1 4
67.54 1.06 1.3869 4 2 6 4
68.04 1.44 1.3779 1 5 5 4
69.54 6.04 1.3518 2 2 8 4
69.54 5.90 1.3518 4 4 4 4
69.54 2.66 1.3518 2 6 0 4
69.54 3.36 1.3518 6 2 0 4
73.47 1.58 1.2889 1 5 6 4
77.32 3.28 1.2340 4 0 8 2
77.32 3.87 1.2340 0 4 8 2
77.32 7.38 1.2340 6 2 4 4
77.32 6.78 1.2340 2 6 4 4
81.12 1.25 1.1856 1 1 10 4
83.00 2.07 1.1635 0 6 6 2
83.47 1.26 1.1581 5 5 3 4
86.74 1.21 1.1226 2 2 10 4
88.61 1.45 1.1038 3 1 10 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.