Observed and calculated structure factors for biotite-1M crystals: GFS15a
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
1 1 1 37.1 -37.3 1 9 0 11.1 -11.1 1 1 11 12.8 -13.0
1 1 0 28.5 27.6 -1 9 1 55.3 -57.5 1 1 10 13.8 -13.6
-1 1 1 12.5 12.0 -1 9 2 71.9 71.9 1 1 7 24.4 -25.5
-1 1 2 63.6 -63.4 -1 9 3 31.6 -33.8 1 1 6 26.8 -28.3
-1 1 3 83.8 -83.3 -1 9 4 18.2 20.5 1 1 4 9.0 8.2
-1 1 4 16.8 -16.4 -1 9 5 76.0 -79.2 1 1 3 43.3 -41.9
-1 1 5 10.0 9.2 -1 9 6 27.6 31.1 1 1 2 88.1 -87.1
-1 1 6 5.4 -7.0 -1 9 7 9.7 8.9 0 12 5 5.5 4.8
-1 1 7 36.2 -36.2 -1 9 8 13.1 14.4 0 12 4 31.9 31.5
-1 1 8 14.8 -15.1 -1 9 9 36.9 -38.3 0 12 3 28.9 -29.2
-1 1 9 4.7 4.9 1 11 0 16.0 16.0 0 12 2 7.6 6.4
-1 1 10 5.9 -5.3 -1 11 2 22.6 -21.4 0 12 1 25.0 -23.7
-1 1 11 15.1 -15.7 -1 11 3 21.0 -19.7 0 12 0 65.9 64.7
-1 1 12 10.0 -10.0 -1 11 4 3.8 3.1 0 10 9 6.3 -7.5
-1 1 13 5.0 4.6 -1 11 5 13.7 13.4 0 10 7 11.5 12.7
-1 1 14 4.7 4.6 -1 11 7 15.2 -15.4 0 10 6 13.0 12.9
1 3 0 26.1 -24.9 1 11 6 6.5 -7.3 0 10 4 6.1 -6.3
-1 3 4 63.4 65.4 1 11 3 10.9 -10.5 0 10 3 7.4 8.1
-1 3 6 62.3 63.6 1 11 2 16.1 -15.1 0 10 2 20.6 20.2
-1 3 7 7.8 7.5 1 9 9 31.7 -32.4 0 10 0 4.2 -5.6
-1 3 8 4.8 3.5 1 9 7 26.8 -28.6 0 8 11 11.8 13.8
-1 3 9 72.8 -72.0 1 9 6 60.1 60.7 0 8 9 10.4 -13.5
-1 3 10 6.9 7.5 1 9 5 48.0 -48.5 0 8 8 5.5 -6.4
-1 3 11 8.6 -7.9 1 9 4 6.8 5.2 0 8 7 21.1 22.7
-1 3 12 47.5 47.9 1 9 3 36.5 -37.6 0 8 6 25.0 27.4
-1 3 13 47.9 -47.0 1 9 2 40.5 42.1 0 8 4 11.9 -12.0
1 5 1 36.6 -38.4 1 7 11 8.9 -9.2 0 8 2 22.0 22.4
1 5 0 19.9 18.3 1 7 10 12.3 -12.8 0 8 1 13.2 14.0
-1 5 1 14.3 16.3 1 7 8 5.3 5.4 0 6 12 14.2 14.6
-1 5 2 32.0 -31.3 1 7 7 7.0 -8.1 0 6 11 42.9 -44.7
-1 5 3 45.2 -45.3 1 7 6 9.7 -11.2 0 6 10 36.8 39.8
-1 5 4 13.6 -13.7 1 7 3 23.0 -23.0 0 6 9 7.0 -8.0
-1 5 5 4.8 4.0 1 7 2 34.3 -32.6 0 6 8 62.0 63.2
-1 5 7 24.9 -25.2 1 5 11 9.6 -10.2 0 6 7 60.8 -62.7
-1 5 8 5.5 -4.9 1 5 10 6.8 -7.5 0 6 6 8.7 8.3
-1 5 9 6.0 6.3 1 5 7 21.4 -23.4 0 6 5 17.5 17.7
-1 5 10 6.0 -5.8 1 5 6 26.4 -27.3 0 6 4 80.8 80.0
-1 5 11 14.6 -15.2 1 5 5 6.2 5.9 0 6 3 47.0 -47.2
-1 5 12 9.0 -9.1 1 5 4 17.8 18.9 0 6 2 30.1 31.7
-1 5 13 6.7 6.2 1 5 3 20.4 -19.6 0 6 1 70.8 -69.1
1 7 0 26.6 25.7 1 3 13 34.6 -33.8 0 6 0 164.6 165.7
-1 7 2 39.7 -41.8 1 3 12 8.7 8.3 0 4 13 4.2 -4.1
-1 7 3 41.8 -43.7 1 3 11 8.9 8.6 0 4 12 15.6 15.3
-1 7 4 5.9 4.8 1 3 10 20.0 19.8 0 4 11 20.5 21.8
-1 7 5 20.2 20.0 1 3 9 63.4 -63.9 0 4 10 4.0 4.0
-1 7 7 24.8 -26.8 1 3 7 43.8 -44.3 0 4 9 21.9 -24.2
-1 7 8 14.4 -15.2 1 3 4 14.3 -14.0 0 4 8 9.8 -10.1
-1 7 11 5.5 -5.8 1 3 3 96.1 -98.2 0 4 7 36.6 39.1
-1 7 12 4.4 -4.7 1 3 2 61.6 62.3 0 4 6 52.7 53.9
1 9 1 22.6 -21.7 1 1 13 6.8 7.0 0 4 5 15.3 15.4
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
0 4 4 22.3 -22.8 2 8 5 7.6 6.9 -2 0 4 102.6 101.4
0 4 3 14.8 -13.7 2 8 4 12.2 -12.5 -2 0 5 16.9 16.7
0 4 2 27.7 29.9 2 8 2 21.0 23.4 -2 0 6 118.2 117.9
0 4 1 40.0 40.3 2 8 1 25.9 25.9 -2 0 7 136.8 -135.3
0 4 0 49.0 49.8 -2 8 1 15.3 -14.3 -2 0 8 44.3 44.6
0 2 13 8.0 -7.9 2 6 11 25.6 -27.3 -2 0 10 70.5 68.8
0 2 12 6.2 5.1 2 6 10 9.6 11.1 -2 0 11 21.8 -20.5
0 2 11 15.8 15.5 2 6 9 11.6 -12.6 -2 0 12 10.2 -9.6
0 2 10 11.2 10.7 2 6 8 37.7 37.9 -2 0 13 10.5 -9.6
0 2 7 32.1 31.9 2 6 7 14.9 -14.2 -2 0 14 36.3 36.1
0 2 6 19.0 20.9 2 6 6 7.7 4.8 -2 2 2 42.8 43.5
0 2 5 11.1 -9.9 2 6 5 24.1 -23.2 -2 2 3 13.4 16.1
0 2 4 6.0 5.0 2 6 4 107.5 105.4 -2 2 4 25.7 -23.0
0 2 1 8.5 8.4 2 6 3 54.8 -53.0 -2 2 5 15.9 -14.9
0 2 0 31.2 -31.7 2 6 2 33.1 31.2 -2 2 6 33.6 32.0
0 0 14 12.7 12.4 2 6 1 96.9 -94.7 -2 2 7 58.5 57.9
0 0 13 13.5 13.4 2 6 0 113.3 111.9 -2 2 8 25.8 25.6
0 0 12 31.8 30.5 -2 6 1 44.4 43.7 -2 2 9 25.7 -24.2
0 0 11 49.6 -49.3 2 4 11 7.2 7.8 -2 2 10 17.1 -16.2
0 0 10 49.8 48.7 2 4 10 9.4 9.9 -2 2 11 13.1 11.7
0 0 9 33.6 -33.7 2 4 8 6.4 -5.4 -2 2 12 25.9 24.6
0 0 7 69.7 -70.4 2 4 7 14.5 15.2 -2 2 13 9.5 8.6
0 0 6 54.3 55.6 2 4 6 29.3 30.9 -2 2 14 7.8 -7.6
0 0 2 19.4 18.0 2 4 5 6.4 6.6 -2 4 2 10.7 12.9
0 0 1 75.6 -76.2 2 4 4 19.8 -18.5 -2 4 3 49.8 47.6
0 0 4 78.3 75.4 2 4 2 53.9 53.2 -2 4 4 30.4 28.0
0 0 5 77.2 75.8 2 4 1 52.0 50.6 -2 4 6 3.6 3.8
0 0 8 78.0 75.1 -2 4 1 25.1 -26.3 -2 4 7 21.2 18.8
-1 3 1 142.4 -140.7 2 2 11 19.4 20.2 -2 4 8 16.4 15.5
1 3 5 115.0 -113.6 2 2 10 17.0 18.0 -2 4 9 9.5 -7.1
1 3 6 129.9 128.8 2 2 9 7.3 -6.7 -2 4 11 15.9 14.3
1 7 1 5.5 -4.0 2 2 8 23.9 -25.2 -2 4 12 14.5 12.8
-1 5 6 8.4 -8.0 2 2 7 5.4 5.1 -2 6 2 24.0 22.5
-1 3 5 145.3 -142.9 2 2 6 51.2 51.4 -2 6 3 83.4 -81.8
-1 3 3 127.4 -124.8 2 2 5 47.1 44.6 -2 6 4 36.2 34.3
-1 3 2 120.5 117.6 2 2 3 27.3 -26.6 -2 6 6 94.2 92.3
2 12 3 17.5 -19.1 2 2 1 34.0 35.5 -2 6 7 72.5 -72.1
2 12 2 14.8 15.8 2 2 0 44.5 47.6 -2 6 8 36.2 35.0
2 12 1 37.3 -38.5 -2 2 1 41.6 43.1 -2 6 9 14.2 -13.4
2 12 0 39.0 39.3 2 0 12 44.5 44.6 -2 6 10 39.3 37.5
2 10 6 17.1 18.0 2 0 11 42.7 -45.0 -2 6 11 22.1 -20.2
2 10 5 8.3 9.5 2 0 10 7.1 8.1 -2 8 2 12.4 12.2
2 10 4 5.9 -6.3 2 0 9 7.8 -7.6 -2 8 3 24.1 23.7
2 10 3 8.2 -9.3 2 0 8 68.3 69.2 -2 8 4 9.4 9.1
2 10 2 11.5 11.1 2 0 6 8.9 -6.6 -2 8 5 6.8 -6.5
2 10 1 14.3 14.3 2 0 5 61.3 -61.8 -2 8 7 18.3 17.2
2 10 0 5.3 4.7 2 0 3 62.6 -64.3 -2 8 8 10.3 9.7
2 8 8 5.9 -6.5 2 0 1 113.9 -116.9 -2 8 9 9.1 -7.8
2 8 7 5.6 6.3 -2 0 1 24.1 24.4 -2 8 11 8.7 8.2
2 8 6 20.7 21.4 -2 0 3 62.3 -64.5 -2 10 2 8.8 8.8
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
-2 10 3 11.7 11.5 3 9 2 24.5 25.3 -3 1 10 6.6 7.2
-2 10 5 6.5 -7.9 3 9 3 52.4 -53.2 -3 1 9 7.0 -6.7
-2 10 6 6.6 6.7 3 9 4 10.5 -8.4 -3 1 8 32.8 -32.7
-2 10 7 13.1 15.3 3 9 6 42.7 42.9 -3 1 7 19.3 -19.3
-2 10 8 8.1 9.0 3 9 7 32.3 -32.7 -3 1 6 15.8 16.4
-2 12 3 36.4 -33.9 -3 11 1 8.2 9.2 -3 1 5 11.4 11.3
-2 12 4 20.4 20.3 3 11 1 14.1 -15.4 -3 1 4 33.5 -35.0
-3 1 1 21.2 22.7 3 11 2 7.6 -7.4 -3 1 3 63.5 -66.3
3 1 1 40.8 -41.9 3 11 3 5.7 5.8 -3 1 2 13.2 -15.9
3 1 2 37.0 -38.4 -3 11 4 6.4 -6.4 4 10 3 8.9 -9.5
3 1 3 4.8 -4.8 -3 11 3 13.6 -13.5 4 10 1 14.4 15.2
3 1 5 15.8 -16.3 -3 9 9 45.0 -43.7 4 10 0 9.9 9.9
3 1 6 19.6 -18.9 -3 9 8 36.5 34.6 -4 10 1 6.4 -6.3
3 1 8 4.0 3.3 -3 9 5 41.2 -40.6 4 8 6 9.6 9.7
3 1 9 9.7 -10.6 -3 9 4 28.0 27.7 4 8 5 20.1 19.3
3 1 10 12.7 -14.7 -3 9 3 22.7 -22.1 4 8 3 11.9 -11.5
-3 3 1 168.0 -169.7 -3 9 2 27.2 28.2 4 8 1 14.8 14.7
3 3 0 70.1 70.3 -3 7 11 8.8 -6.8 4 8 0 14.4 14.2
3 3 1 32.8 -30.9 -3 7 10 8.8 7.9 4 6 8 29.6 31.8
3 3 2 48.9 47.2 -3 7 8 16.0 -15.0 4 6 6 29.4 29.2
3 3 3 84.0 -82.0 -3 7 7 16.7 -14.4 4 6 5 62.5 -60.2
3 3 4 19.3 -17.6 -3 7 6 3.8 3.3 4 6 4 49.7 48.5
3 3 5 10.5 -8.1 -3 7 5 4.0 3.6 4 6 3 7.6 -5.5
3 3 6 64.1 62.2 -3 7 4 14.9 -14.5 4 6 2 40.5 38.4
3 3 7 63.1 -62.3 -3 7 3 25.4 -26.0 4 6 1 42.1 -43.4
3 3 8 6.6 7.2 -3 5 12 6.5 -6.4 4 6 0 24.4 23.8
3 3 9 38.3 -38.7 -3 5 10 4.4 5.2 -4 6 1 14.4 12.1
3 3 10 43.0 43.2 -3 5 9 8.5 -7.6 4 4 9 7.4 7.7
3 3 11 14.3 -14.1 -3 5 8 31.0 -28.7 4 4 8 9.8 -10.0
-3 5 1 24.5 25.0 -3 5 7 14.9 -13.9 4 4 7 11.5 -11.2
3 5 0 11.5 9.6 -3 5 6 22.5 20.4 4 4 6 15.2 14.0
3 5 1 29.1 -27.8 -3 5 5 14.8 13.8 4 4 5 29.4 29.2
3 5 2 32.8 -30.4 -3 5 4 27.2 -27.0 4 4 4 12.2 11.7
3 5 3 7.9 -6.9 -3 5 3 53.8 -54.9 4 4 3 13.5 -13.0
3 5 5 12.0 -10.7 -3 5 2 13.9 -14.8 4 4 2 4.9 -4.8
3 5 6 11.3 -11.4 -3 3 13 18.7 -16.1 4 4 1 18.9 18.6
3 5 9 11.0 -10.0 -3 3 12 49.8 48.6 4 4 0 19.6 19.8
3 5 10 13.4 -12.9 -3 3 11 43.2 -42.1 -4 4 1 4.9 5.4
-3 7 1 10.8 10.3 -3 3 10 9.2 8.0 4 2 10 6.1 6.2
3 7 0 7.5 -6.4 -3 3 9 67.8 -66.9 4 2 6 21.2 21.9
3 7 1 31.0 -29.7 -3 3 8 66.5 66.2 4 2 5 22.3 22.6
3 7 2 16.9 -14.9 -3 3 7 11.0 -9.3 4 2 4 9.3 -9.0
3 7 3 10.7 9.1 -3 3 6 19.2 -18.7 4 2 3 22.3 -22.9
3 7 4 7.8 6.3 -3 3 5 84.9 -83.7 4 2 2 13.8 13.0
3 7 5 14.9 -13.7 -3 3 4 50.5 50.4 4 2 1 48.8 51.2
3 7 6 18.1 -17.1 -3 3 3 31.1 -32.9 4 2 0 32.5 34.1
3 7 8 6.2 6.3 -3 3 2 67.2 69.0 -4 2 1 13.3 -15.7
-3 9 1 77.1 -76.2 -3 1 13 5.9 -6.3 4 0 9 18.9 -19.5
3 9 0 44.9 44.2 -3 1 12 10.1 -10.6 4 0 8 33.3 35.1
3 9 1 7.1 -6.8 -3 1 11 5.3 -5.7 4 0 7 12.7 -11.8
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
4 0 6 32.9 34.3 -4 8 4 10.7 9.6 -5 5 10 9.4 9.4
4 0 5 67.3 -69.3 -4 8 5 5.2 -6.1 -5 5 9 11.1 -11.8
4 0 4 86.6 89.2 -4 8 6 5.2 -4.3 -5 5 8 16.8 -18.5
4 0 2 35.6 35.6 -4 8 7 9.7 10.0 -5 5 6 10.0 9.9
4 0 1 80.0 -82.5 -4 8 8 19.5 19.6 -5 5 2 7.5 8.0
4 0 0 23.0 23.4 -4 10 2 6.0 -5.3 -5 3 11 37.8 -38.7
-4 0 1 43.8 45.0 -4 10 3 6.9 7.5 -5 3 9 30.4 -31.7
-4 0 2 115.7 116.8 -4 10 4 13.8 13.1 -5 3 8 66.8 68.1
-4 0 3 97.3 -98.5 -5 1 1 5.4 5.5 -5 3 7 53.1 -54.2
-4 0 4 30.0 31.3 5 1 0 16.6 -17.9 -5 3 6 5.6 4.6
-4 0 5 53.1 -56.0 5 1 1 22.8 -23.1 -5 3 5 38.8 -40.5
-4 0 6 113.7 114.5 5 1 3 6.1 5.9 -5 3 3 24.8 -25.5
-4 0 7 24.1 -25.3 5 1 4 9.7 -9.9 -5 3 2 12.4 -13.1
-4 0 8 6.7 5.1 5 1 5 16.2 -16.0 -5 1 10 6.3 7.3
-4 0 9 16.7 -16.4 5 1 6 4.1 -3.4 -5 1 9 17.7 -17.8
-4 0 10 41.3 43.6 5 1 7 7.7 7.9 -5 1 8 19.5 -20.7
-4 0 11 12.7 -13.9 -5 3 1 61.9 -60.9 -5 1 6 12.3 14.5
-4 0 12 9.9 11.4 5 3 0 78.5 76.2 -5 1 5 5.0 -5.4
-4 0 13 31.4 -31.8 5 3 1 35.6 -33.6 -5 1 4 30.0 -32.0
-4 2 2 20.8 -23.4 5 3 2 19.7 18.6 -5 1 3 18.7 -20.0
-4 2 3 16.0 17.7 5 3 3 80.9 -81.3 -5 1 2 9.5 10.4
-4 2 4 35.3 37.4 5 3 4 30.8 31.2 6 6 2 35.7 34.5
-4 2 5 13.7 14.8 5 3 5 11.2 9.0 6 6 1 30.5 -30.7
-4 2 7 3.8 3.6 5 3 6 15.0 14.9 6 4 5 15.4 14.8
-4 2 8 15.5 15.9 5 3 7 39.9 -38.3 6 4 4 7.3 6.6
-4 2 10 5.8 -5.0 5 5 0 18.1 -16.6 6 4 3 11.0 -10.8
-4 2 11 8.3 8.8 5 5 1 15.6 -16.0 6 4 2 10.5 -11.2
-4 2 12 14.1 15.8 5 5 3 8.4 7.7 6 4 1 15.6 14.6
-4 2 13 6.2 6.2 5 5 4 9.9 -9.3 6 4 0 27.8 27.0
-4 4 2 7.6 8.5 5 5 5 17.1 -15.8 -6 4 1 6.6 7.1
-4 4 3 20.7 22.3 5 5 7 8.8 7.9 6 2 5 14.1 13.8
-4 4 4 12.1 13.9 -5 7 1 11.3 10.6 6 2 4 16.2 15.2
-4 4 5 12.8 -13.8 5 7 0 8.3 -7.4 6 2 2 8.0 -8.7
-4 4 6 5.8 -5.1 5 7 1 19.0 -17.7 6 2 1 6.1 6.1
-4 4 7 18.0 18.9 5 7 2 6.4 -4.6 6 2 0 14.4 14.7
-4 4 8 31.7 32.4 5 7 5 6.7 -6.2 -6 2 1 5.5 5.1
-4 4 9 4.5 4.1 -5 9 1 41.2 -41.3 6 0 6 44.7 42.1
-4 4 10 14.6 -16.4 5 9 0 40.0 41.1 6 0 5 35.9 -32.9
-4 4 11 6.0 -5.1 5 9 1 16.6 -15.6 6 0 2 41.6 42.1
-4 4 12 11.0 12.8 5 9 2 19.3 18.5 6 0 1 27.9 -27.9
-4 6 2 61.2 59.7 -5 9 5 22.7 -21.1 6 0 0 22.2 22.6
-4 6 3 76.5 -76.0 -5 9 4 37.9 37.0 -6 0 1 25.9 -28.6
-4 6 4 33.0 34.4 -5 7 9 15.9 -15.3 -6 0 2 81.1 81.5
-4 6 5 20.1 -19.7 -5 7 8 11.0 -10.9 -6 0 3 47.1 -47.3
-4 6 6 85.8 85.6 -5 7 7 6.5 6.0 -6 0 5 28.9 -29.2
-4 6 7 33.1 -33.5 -5 7 6 14.8 14.9 -6 0 6 63.0 63.1
-4 6 8 11.7 -10.8 -5 7 5 5.7 -5.7 -6 0 7 12.2 10.9
-4 6 9 15.1 -16.6 -5 7 4 26.2 -26.3 -6 0 9 53.5 -52.9
-4 6 10 41.0 42.8 -5 7 3 16.3 -15.6 -6 0 10 40.1 38.4
-4 8 3 13.8 13.6 -5 7 2 10.9 10.9 -6 2 3 6.8 7.6
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
-6 2 4 21.5 21.4 -6 4 9 6.5 6.1 7 3 1 21.9 -22.4
-6 2 6 11.1 -11.9 -6 6 2 71.8 70.6 -7 3 6 23.4 21.4
-6 2 7 4.6 -4.4 -6 6 4 7.5 6.5 -7 3 5 14.9 -15.6
-6 2 8 18.4 18.0 -6 6 5 34.6 -33.6 -7 3 4 43.9 43.8
-6 2 9 19.9 19.6 -6 6 6 38.1 37.3 -7 3 3 46.9 -46.0
-6 4 2 14.3 -14.5 -6 6 7 7.1 5.5 -7 1 7 8.1 8.5
-6 4 3 8.2 -9.0 -7 1 1 4.3 -4.6 -7 1 6 4.7 5.1
-6 4 4 17.6 16.5 7 1 0 14.3 -13.9 -7 1 5 15.1 -15.3
-6 4 5 14.8 15.4 -7 3 1 9.8 -10.4 -7 1 4 16.6 -15.9
-6 4 6 4.0 2.9 7 3 0 40.4 38.6 -7 1 2 8.0 8.1
-6 4 8 5.7 5.2