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.17-4, after heating at 800 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003150
CELL PARAMETERS: 9.7070 8.9430 5.2460 90.000 108.470 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 431.946
Density (g/cm3): 3.541
MAX. ABS. INTENSITY / VOLUME**2: 11.57389720
RIR: 1.064
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.80 4.16 6.4150 1 1 0 4
19.28 10.29 4.6035 2 0 0 2
20.02 8.70 4.4342 -1 1 1 4
20.43 3.87 4.3481 0 1 1 4
26.50 1.84 3.3639 -1 2 1 4
26.81 15.72 3.3259 0 2 1 4
27.81 48.56 3.2075 2 2 0 4
29.62 100.00 3.0161 -2 2 1 4
30.66 37.20 2.9164 -3 1 1 4
30.80 48.95 2.9028 3 1 0 4
34.23 1.11 2.6198 -1 0 2 2
34.85 45.94 2.5744 -1 3 1 4
35.09 2.09 2.5572 0 3 1 4
36.10 49.53 2.4879 0 0 2 2
36.53 27.18 2.4599 2 2 1 4
37.34 4.96 2.4081 -2 3 1 4
38.02 3.28 2.3666 1 3 1 4
40.39 12.48 2.2330 3 1 1 4
40.44 4.06 2.2304 1 0 2 2
40.70 1.93 2.2171 -2 2 2 4
41.54 4.17 2.1740 0 2 2 4
41.74 8.72 2.1641 1 1 2 4
42.15 38.32 2.1437 -3 3 1 4
42.26 2.65 2.1383 3 3 0 4
42.78 7.72 2.1137 -4 2 1 4
43.87 1.95 2.0639 -3 2 2 4
44.26 3.05 2.0465 4 2 0 4
44.35 14.72 2.0427 -4 0 2 2
44.42 9.55 2.0393 0 4 1 4
45.08 4.68 2.0111 2 4 0 4
45.55 1.39 1.9914 -4 1 2 4
46.29 4.58 1.9613 -2 4 1 4
46.68 10.70 1.9460 2 0 2 2
48.73 1.77 1.8688 -4 3 1 4
50.01 3.14 1.8240 3 3 1 4
50.61 3.27 1.8036 5 1 0 4
51.15 1.58 1.7859 1 3 2 4
51.20 9.25 1.7843 2 2 2 4
51.30 2.33 1.7809 2 4 1 4
52.09 11.40 1.7558 1 5 0 4
52.96 3.00 1.7291 4 2 1 4
53.96 1.75 1.6993 -1 1 3 4
54.56 3.45 1.6820 -2 4 2 4
54.91 3.43 1.6720 -3 1 3 4
55.24 1.43 1.6629 0 4 2 4
55.37 5.10 1.6593 3 1 2 4
56.56 18.45 1.6271 -2 2 3 4
56.64 26.10 1.6250 -5 3 1 4
59.76 3.57 1.5474 -3 5 1 4
59.85 5.29 1.5453 3 5 0 4
59.97 6.57 1.5425 -6 0 2 2
60.32 5.92 1.5345 6 0 0 2
61.53 5.16 1.5071 -2 3 3 4
62.00 14.40 1.4968 -1 3 3 4
62.29 13.46 1.4905 0 6 0 2
62.88 2.32 1.4781 -3 3 3 4
62.92 1.25 1.4772 -1 5 2 4
63.12 5.24 1.4729 4 0 2 2
63.36 2.00 1.4678 2 4 2 4
63.83 2.99 1.4582 -6 2 2 4
64.12 1.89 1.4523 0 5 2 4
65.87 5.18 1.4180 -3 5 2 4
66.11 2.13 1.4133 3 5 1 4
66.14 1.03 1.4128 -5 2 3 4
67.08 1.88 1.3954 1 5 2 4
67.33 28.05 1.3908 5 3 1 4
68.12 3.54 1.3765 -2 4 3 4
68.23 5.17 1.3745 1 3 3 4
68.58 1.10 1.3683 -7 1 1 4
69.28 1.83 1.3562 2 2 3 4
69.45 2.04 1.3534 -7 0 2 2
70.36 6.82 1.3381 -7 1 2 4
70.72 4.68 1.3321 -5 3 3 4
70.72 1.35 1.3321 0 4 3 4
72.37 2.30 1.3058 -3 0 4 2
72.66 1.93 1.3013 7 1 0 4
73.20 1.22 1.2931 6 2 1 4
73.26 1.65 1.2921 -3 1 4 4
73.81 1.05 1.2839 3 1 3 4
73.85 1.66 1.2832 5 1 2 4
74.16 10.78 1.2786 0 6 2 4
74.30 4.26 1.2765 -4 0 4 2
75.65 1.11 1.2571 -2 2 4 4
76.08 1.28 1.2511 4 6 0 4
76.59 2.09 1.2439 0 0 4 2
77.40 1.60 1.2330 -3 5 3 4
77.79 7.17 1.2278 3 5 2 4
79.62 2.24 1.2040 -4 6 2 4
81.31 1.79 1.1833 2 6 2 4
81.34 1.06 1.1830 -5 2 4 4
82.24 1.04 1.1722 7 1 1 4
82.72 1.04 1.1666 -8 2 1 4
83.01 1.70 1.1633 -6 0 4 2
84.11 1.57 1.1509 8 0 0 2
89.68 1.44 1.0933 -8 2 3 4
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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.