Pigeonite
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-6, after the final in situ run to 500 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003152
CELL PARAMETERS: 9.7180 8.9510 5.2500 90.000 108.500 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 433.076
Density (g/cm3): 3.532
MAX. ABS. INTENSITY / VOLUME**2: 11.79243716
RIR: 1.087
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.79 4.25 6.4209 1 1 0 4
19.26 9.83 4.6079 2 0 0 2
20.01 7.82 4.4382 -1 1 1 4
20.41 3.84 4.3509 0 1 1 4
26.47 1.74 3.3670 -1 2 1 4
26.78 14.99 3.3284 0 2 1 4
27.79 46.54 3.2104 2 2 0 4
29.59 100.00 3.0192 -2 2 1 4
30.62 35.78 2.9198 -3 1 1 4
30.77 48.73 2.9056 3 1 0 4
34.20 1.13 2.6218 -1 0 2 2
34.82 44.49 2.5767 -1 3 1 4
35.06 1.94 2.5593 0 3 1 4
36.08 48.59 2.4893 0 0 2 2
36.50 26.91 2.4616 2 2 1 4
37.30 5.04 2.4105 -2 3 1 4
37.99 3.18 2.3684 1 3 1 4
40.37 12.20 2.2345 3 1 1 4
40.42 3.93 2.2316 1 0 2 2
40.66 1.71 2.2191 -2 2 2 4
41.51 4.16 2.1755 0 2 2 4
41.71 8.77 2.1653 1 1 2 4
42.11 37.23 2.1460 -3 3 1 4
42.22 2.78 2.1403 3 3 0 4
42.73 7.86 2.1160 -4 2 1 4
43.82 1.90 2.0660 -3 2 2 4
44.21 2.93 2.0485 4 2 0 4
44.29 14.36 2.0450 -4 0 2 2
44.38 9.47 2.0411 0 4 1 4
45.04 4.26 2.0129 2 4 0 4
45.50 1.41 1.9937 -4 1 2 4
46.24 4.46 1.9631 -2 4 1 4
46.65 10.43 1.9470 2 0 2 2
48.67 1.69 1.8708 -4 3 1 4
49.97 3.12 1.8253 3 3 1 4
50.56 3.27 1.8053 5 1 0 4
51.11 1.67 1.7870 1 3 2 4
51.16 8.95 1.7854 2 2 2 4
51.26 2.22 1.7823 2 4 1 4
51.32 1.03 1.7804 -5 2 1 4
52.04 11.71 1.7574 1 5 0 4
52.91 3.04 1.7304 4 2 1 4
53.92 1.62 1.7004 -1 1 3 4
54.51 3.37 1.6835 -2 4 2 4
54.86 3.33 1.6735 -3 1 3 4
55.19 1.53 1.6642 0 4 2 4
55.34 4.99 1.6602 3 1 2 4
56.51 18.29 1.6284 -2 2 3 4
56.57 25.63 1.6268 -5 3 1 4
59.70 3.42 1.5489 -3 5 1 4
59.79 5.17 1.5467 3 5 0 4
59.89 6.37 1.5444 -6 0 2 2
60.25 5.91 1.5360 6 0 0 2
61.47 5.06 1.5084 -2 3 3 4
61.95 14.12 1.4979 -1 3 3 4
62.23 12.95 1.4918 0 6 0 2
62.81 2.30 1.4794 -3 3 3 4
62.86 1.25 1.4784 -1 5 2 4
63.08 5.15 1.4738 4 0 2 2
63.32 1.87 1.4689 2 4 2 4
63.75 2.96 1.4599 -6 2 2 4
64.07 1.97 1.4534 0 5 2 4
65.80 5.28 1.4194 -3 5 2 4
66.05 2.04 1.4144 3 5 1 4
66.06 1.05 1.4144 -5 2 3 4
67.02 1.89 1.3964 1 5 2 4
67.27 27.57 1.3919 5 3 1 4
68.06 3.45 1.3776 -2 4 3 4
68.19 4.92 1.3753 1 3 3 4
68.50 1.05 1.3698 -7 1 1 4
69.24 1.84 1.3569 2 2 3 4
69.35 2.06 1.3550 -7 0 2 2
70.26 6.84 1.3397 -7 1 2 4
70.63 4.58 1.3336 -5 3 3 4
70.67 1.34 1.3330 0 4 3 4
72.30 2.31 1.3069 -3 0 4 2
72.58 1.86 1.3025 7 1 0 4
73.13 1.26 1.2941 6 2 1 4
73.19 1.68 1.2932 -3 1 4 4
73.76 1.01 1.2846 3 1 3 4
73.80 1.66 1.2840 5 1 2 4
74.09 10.70 1.2796 0 6 2 4
74.22 4.15 1.2777 -4 0 4 2
75.58 1.07 1.2580 -2 2 4 4
76.00 1.27 1.2522 4 6 0 4
76.54 2.06 1.2447 0 0 4 2
77.32 1.56 1.2341 -3 5 3 4
77.72 7.25 1.2287 3 5 2 4
79.53 2.09 1.2052 -4 6 2 4
81.24 1.70 1.1842 2 6 2 4
81.24 1.06 1.1842 -5 2 4 4
82.62 1.04 1.1679 -8 2 1 4
82.91 1.73 1.1645 -6 0 4 2
84.01 1.56 1.1520 8 0 0 2
89.54 1.45 1.0946 -8 2 3 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.