Observed and calculated structure factors for biotite-1M crystals: C3-31

H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/

1 1 1 38.5 -39.3 -1 11 3 26.7 -27.3 0 12 3 35.7 -38.1

1 1 0 34.9 34.4 -1 11 7 22.2 -23.3 0 12 1 29.7 -29.2

-1 1 1 14.2 17.2 1 11 6 10.3 -10.6 0 12 0 88.1 86.7

-1 1 2 64.6 -64.9 1 11 3 14.9 -15.4 0 10 9 9.2 -10.2

-1 1 3 82.7 -84.9 1 11 2 19.4 -19.4 0 10 7 16.9 16.9

-1 1 4 17.6 -18.5 1 9 9 44.9 -44.3 0 10 6 16.3 17.1

-1 1 5 10.6 9.7 1 9 7 34.1 -36.1 0 10 4 7.1 -6.7

-1 1 7 36.9 -38.1 1 9 6 74.6 75.8 0 10 3 10.4 10.5

-1 1 8 16.7 -15.9 1 9 5 58.0 -60.4 0 10 2 24.0 25.2

-1 1 9 5.5 6.1 1 9 4 5.8 5.9 0 10 1 4.1 3.9

-1 1 11 17.9 -17.2 1 9 3 42.9 -44.4 0 8 11 17.1 18.2

-1 1 12 13.4 -12.9 1 9 2 49.4 49.4 0 8 9 17.8 -18.0

-1 1 13 5.9 6.1 1 7 11 12.6 -13.8 0 8 8 7.3 -7.4

1 3 0 21.6 -20.5 1 7 10 16.7 -16.4 0 8 7 29.2 29.3

-1 3 4 70.7 73.0 1 7 8 6.7 7.1 0 8 6 33.3 33.7

-1 3 6 69.5 68.7 1 7 7 9.5 -9.6 0 8 4 13.0 -13.3

-1 3 7 7.9 6.6 1 7 6 12.9 -13.2 0 8 2 26.7 27.5

-1 3 8 8.2 7.5 1 7 3 27.5 -27.4 0 8 1 15.3 16.4

-1 3 9 79.1 -81.8 1 7 2 36.9 -36.3 0 6 12 16.9 16.8

-1 3 10 6.9 8.8 1 5 11 14.0 -14.0 0 6 11 54.4 -57.6

-1 3 11 9.8 -9.7 1 5 10 7.5 -7.2 0 6 10 52.4 51.0

-1 3 12 61.6 60.2 1 5 7 29.2 -28.8 0 6 9 8.0 -8.2

-1 3 13 60.8 -57.9 1 5 6 31.4 -31.3 0 6 8 70.7 73.3

1 5 1 41.5 -43.5 1 5 5 6.9 7.9 0 6 7 73.9 -75.2

-1 5 1 18.6 18.3 1 5 4 21.3 21.8 0 6 6 10.5 10.6

-1 5 2 31.0 -31.9 1 5 3 22.1 -21.1 0 6 5 19.0 20.2

-1 5 3 47.3 -48.1 1 5 2 60.7 -62.7 0 6 2 33.6 35.7

-1 5 4 16.1 -15.8 1 3 13 50.0 -46.3 0 6 1 74.6 -76.0

-1 5 6 7.7 -7.6 1 3 12 13.0 13.2 0 4 12 21.7 20.4

-1 5 7 28.4 -28.8 1 3 11 10.7 11.0 0 4 11 25.1 26.0

-1 5 9 7.1 7.8 1 3 10 24.9 24.3 0 4 9 27.4 -28.8

-1 5 11 16.6 -18.5 1 3 9 75.5 -76.7 0 4 8 11.9 -10.9

-1 5 12 11.9 -12.7 1 3 8 6.4 4.4 0 4 7 44.7 44.6

-1 5 13 8.6 8.6 1 3 7 47.0 -48.3 0 4 6 59.0 57.9

-1 7 4 4.6 4.9 1 3 6 141.1 142.2 0 4 5 15.4 15.2

-1 7 5 21.2 23.4 1 3 5 126.3 -125.6 0 4 4 23.4 -25.0

-1 7 7 33.0 -32.1 1 3 4 11.2 -11.8 0 4 3 14.1 -17.0

-1 7 8 18.5 -19.0 1 3 3 107.9 -105.5 0 4 1 43.4 44.4

-1 7 11 7.1 -6.3 1 3 2 68.2 67.3 0 4 0 55.6 55.3

-1 7 12 6.6 -6.8 1 1 13 9.6 10.1 0 2 13 12.2 -12.2

1 9 1 25.4 -26.9 1 1 11 16.9 -16.5 0 2 12 7.9 6.3

1 9 0 14.0 -15.2 1 1 10 15.4 -14.3 0 2 11 18.1 18.1

-1 9 1 66.7 -67.9 1 1 8 3.1 3.1 0 2 10 12.7 12.2

-1 9 4 21.8 23.0 1 1 7 30.0 -28.7 0 2 7 32.2 33.8

-1 9 5 97.4 -97.3 1 1 6 28.7 -30.0 0 2 6 19.5 19.9

-1 9 6 34.5 35.9 1 1 4 10.0 9.2 0 2 5 12.5 -12.0

-1 9 7 11.2 12.7 1 1 3 41.2 -44.0 0 2 4 6.4 7.9

-1 9 8 18.5 19.7 1 1 2 91.9 -89.9 0 2 1 7.6 5.2

-1 9 9 49.4 -49.6 0 12 5 7.6 9.4 0 2 0 43.5 -42.4

1 11 0 21.9 22.2 0 12 4 41.5 42.4 0 0 14 19.9 18.6

H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/

0 0 13 17.0 16.7 2 6 7 19.7 -18.7 -2 0 12 11.9 -11.2

0 0 12 36.8 36.2 2 6 6 6.8 6.0 -2 0 13 13.5 -14.7

0 0 11 56.0 -60.5 2 6 5 26.5 -26.2 -2 0 14 46.0 45.0

0 0 10 55.2 56.8 2 6 4 120.6 120.6 -2 2 2 44.0 45.7

0 0 9 40.2 -38.7 2 6 3 64.4 -61.0 -2 2 3 14.7 13.7

0 0 8 82.4 82.5 2 6 2 37.5 35.2 -2 2 4 26.6 -25.5

0 0 7 81.1 -78.7 2 6 1 104.4 -104.1 -2 2 5 16.0 -15.6

0 0 6 64.7 63.6 2 6 0 124.1 123.7 -2 2 6 32.8 31.6

0 0 5 77.2 76.9 -2 6 1 47.8 47.1 -2 2 7 59.6 61.1

0 0 4 72.9 74.4 2 4 11 10.6 10.0 -2 2 8 27.7 28.8

0 2 2 88.4 87.6 2 4 10 13.1 12.5 -2 2 9 26.9 -26.3

0 2 3 62.7 64.5 2 4 7 17.4 17.1 -2 2 10 19.1 -19.0

0 2 8 5.2 4.4 2 4 6 33.4 33.7 -2 2 11 12.2 11.1

0 4 2 28.8 29.4 2 4 4 20.1 -19.5 -2 2 12 31.5 29.2

0 6 3 50.7 -53.1 2 4 2 57.3 56.7 -2 2 13 11.2 11.3

0 6 4 87.9 89.8 2 4 1 49.8 52.1 -2 2 14 9.4 -9.7

-1 3 1 143.8 -147.3 -2 4 1 30.0 -27.5 -2 4 2 14.4 13.7

1 5 0 21.0 20.1 2 2 11 29.7 26.6 -2 4 3 51.1 49.4

1 7 0 29.4 28.5 2 2 10 22.3 21.3 -2 4 4 30.4 28.9

-1 11 5 17.2 18.5 2 2 9 10.2 -9.6 -2 4 7 20.6 20.3

-1 11 2 29.2 -29.1 2 2 8 30.8 -30.0 -2 4 8 16.8 16.7

-1 9 3 39.4 -38.8 2 2 7 6.2 6.0 -2 4 9 8.8 -8.3

-1 9 2 88.2 85.2 2 2 6 56.9 57.9 -2 4 11 15.0 16.2

-1 7 3 46.9 -49.1 2 2 5 44.8 47.0 -2 4 12 17.2 15.9

-1 7 2 47.9 -48.0 2 2 3 29.6 -29.8 -2 6 2 28.2 26.1

-1 3 5 151.1 -150.8 2 2 1 33.5 35.9 -2 6 3 90.1 -89.5

-1 3 3 135.2 -134.5 2 2 0 53.4 52.3 -2 6 4 39.3 37.6

-1 3 2 122.3 123.2 -2 2 1 50.4 47.2 -2 6 6 101.8 103.9

2 12 3 24.5 -24.4 2 0 12 53.4 56.7 -2 6 7 79.3 -80.4

2 12 2 19.8 19.5 2 0 11 62.8 -60.6 -2 6 8 38.1 39.2

2 12 1 53.5 -51.4 2 0 10 11.7 11.2 -2 6 9 16.7 -15.9

2 12 0 55.2 52.8 2 0 8 83.5 81.8 -2 6 10 46.1 45.2

2 10 7 6.2 5.6 2 0 7 9.3 -8.9 -2 6 11 25.7 -24.8

2 10 6 23.9 25.4 2 0 6 7.1 -7.6 -2 8 2 16.3 15.6

2 10 5 13.0 12.3 2 0 5 65.5 -68.5 -2 8 3 28.3 27.2

2 10 4 8.8 -8.8 2 0 4 155.0 151.7 -2 8 4 12.8 11.8

2 10 3 11.6 -11.0 2 0 3 70.0 -71.3 -2 8 7 21.0 21.1

2 10 2 14.9 14.7 2 0 2 134.8 134.2 -2 8 8 12.3 12.6

2 10 1 19.8 18.3 2 0 1 124.5 -124.6 -2 8 9 11.0 -10.1

2 10 0 7.4 6.7 -2 0 1 20.8 19.4 -2 8 11 8.7 9.8

2 8 8 8.3 -8.2 -2 0 2 6.2 -6.1 -2 10 2 13.7 12.0

2 8 6 27.8 27.7 -2 0 3 69.2 -67.3 -2 10 3 14.9 14.5

2 8 4 13.7 -13.8 -2 0 4 108.1 105.6 -2 10 5 9.3 -9.2

2 8 2 29.8 28.0 -2 0 5 13.7 13.6 -2 10 7 18.7 20.5

2 8 1 32.6 30.3 -2 0 6 129.1 125.4 -2 10 8 12.3 12.4

-2 8 1 17.5 -16.9 -2 0 7 146.5 -142.2 -2 12 2 11.1 11.5

2 6 11 36.3 -38.8 -2 0 8 46.9 46.2 -2 12 3 46.9 -44.7

2 6 10 11.9 14.3 -2 0 9 4.7 -4.6 -2 12 4 23.4 25.8

2 6 9 14.9 -15.7 -2 0 10 77.8 78.1 -3 1 1 24.5 23.7

2 6 8 45.7 47.7 -2 0 11 24.9 -23.0 3 1 0 5.9 4.6

H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/

3 1 1 43.1 -43.3 3 11 3 7.3 7.6 -4 10 1 8.1 -7.5

3 1 2 41.2 -40.8 3 11 4 9.4 10.5 4 8 6 13.6 14.4

3 1 3 5.3 -5.3 -3 11 4 9.5 -8.9 4 8 5 25.5 25.9

3 1 5 16.6 -17.3 -3 11 3 18.0 -18.1 4 8 3 15.7 -14.7

3 1 6 21.7 -22.0 -3 9 9 54.9 -54.8 4 8 1 17.6 17.6

3 1 9 12.5 -11.9 -3 9 8 43.7 42.6 4 8 0 21.1 19.3

3 1 10 18.8 -18.1 -3 9 5 48.6 -48.2 4 6 8 42.0 44.3

3 1 11 4.7 -4.5 -3 9 4 29.5 31.8 4 6 6 36.7 35.0

-3 3 1 175.4 -177.5 -3 9 3 27.2 -26.9 4 6 5 75.3 -74.5

3 3 0 71.7 75.4 -3 9 2 33.3 32.0 4 6 4 56.8 60.0

3 3 1 38.9 -36.3 -3 7 11 7.4 -8.2 4 6 2 45.5 44.8

3 3 2 53.1 52.4 -3 7 8 18.6 -17.8 4 6 1 50.7 -49.4

3 3 3 87.6 -88.7 -3 7 7 16.3 -16.4 4 6 0 27.9 27.0

3 3 4 18.3 -17.9 -3 7 4 17.4 -16.2 -4 6 1 9.4 13.7

3 3 5 9.7 -11.7 -3 7 3 30.8 -29.4 4 4 9 9.5 9.2

3 3 6 72.0 73.1 -3 5 12 8.1 -7.1 4 4 8 12.8 -13.8

3 3 7 72.2 -73.7 -3 5 9 7.9 -9.5 4 4 7 12.3 -14.0

3 3 8 9.6 9.4 -3 5 8 32.1 -32.5 4 4 6 16.9 17.9

3 3 9 49.3 -49.2 -3 5 7 14.1 -14.5 4 4 5 32.9 34.3

3 3 10 59.6 57.6 -3 5 6 22.8 23.4 4 4 4 13.9 13.4

3 3 11 20.4 -18.0 -3 5 5 13.3 13.5 4 4 3 15.5 -14.9

-3 5 1 28.5 26.8 -3 5 4 30.2 -29.8 4 4 1 21.1 20.1

3 5 0 11.2 10.5 -3 5 3 60.9 -59.5 4 4 0 21.8 21.6

3 5 1 32.9 -31.4 -3 5 2 16.2 -15.7 4 2 10 8.3 8.6

3 5 2 35.2 -33.2 -3 3 13 19.7 -17.8 4 2 6 25.1 25.6

3 5 3 9.1 -8.8 -3 3 12 56.3 56.5 4 2 5 24.7 24.5

3 5 5 12.4 -12.5 -3 3 11 50.1 -49.2 4 2 4 10.7 -9.6

3 5 6 14.8 -13.9 -3 3 10 9.7 8.9 4 2 3 23.4 -23.8

3 5 9 12.5 -13.0 -3 3 9 70.5 -72.1 4 2 2 15.2 14.9

3 5 10 18.0 -17.0 -3 3 8 73.6 72.8 4 2 1 53.4 53.4

-3 7 1 11.6 11.1 -3 3 7 11.2 -12.3 4 2 0 36.4 35.5

3 7 0 9.1 -8.4 -3 3 6 19.0 -18.6 -4 2 1 14.6 -15.3

3 7 1 37.3 -34.4 -3 3 5 89.4 -88.1 4 0 9 26.2 -24.9

3 7 2 19.1 -18.3 -3 3 4 54.4 53.8 4 0 8 44.4 44.5

3 7 3 10.0 10.7 -3 3 3 37.3 -37.2 4 0 7 16.2 -16.2

3 7 4 9.3 8.9 -3 1 13 8.2 -8.1 4 0 6 39.8 40.1

3 7 5 17.1 -17.0 -3 1 12 10.9 -11.6 4 0 5 84.7 -79.4

3 7 6 22.7 -22.6 -3 1 10 7.0 7.4 4 0 4 101.2 101.9

-3 9 1 94.0 -91.3 -3 1 9 6.9 -7.2 4 0 2 39.1 38.9

3 9 0 53.9 52.8 -3 1 8 34.5 -34.9 4 0 1 82.7 -87.7

3 9 1 7.9 -7.5 -3 1 7 18.8 -18.6 4 0 0 30.2 27.3

3 9 2 32.5 30.2 -3 1 6 17.1 17.4 -4 0 1 42.4 44.8

3 9 3 68.9 -67.1 -3 1 5 9.8 10.3 -4 0 2 119.4 121.4

3 9 4 13.6 -13.1 -3 1 4 35.3 -36.0 -4 0 3 100.2 -101.8

3 9 6 57.1 58.1 -3 1 3 67.5 -68.0 -4 0 4 32.5 34.7

3 9 7 41.8 -43.5 -3 1 2 14.9 -15.8 -4 0 5 60.5 -59.9

-3 11 1 12.9 11.9 4 10 3 10.3 -12.0 -4 0 6 121.7 118.9

3 11 0 5.7 -5.6 4 10 2 5.0 4.9 -4 0 7 26.2 -26.0

3 11 1 24.8 -23.1 4 10 1 20.8 19.3 -4 0 8 7.1 7.0

3 11 2 9.0 -9.3 4 10 0 12.1 12.5 -4 0 9 17.3 -19.4

H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/

-4 0 10 47.0 47.2 5 5 1 18.8 -19.1 6 6 2 41.1 41.0

-4 0 11 14.8 -15.3 5 5 3 9.9 8.6 6 6 1 35.6 -36.6

-4 0 12 13.0 13.7 5 5 4 10.1 -10.4 6 6 0 9.8 8.7

-4 0 13 37.2 -37.7 5 5 5 19.7 -21.1 -6 6 1 30.9 -28.0

-4 2 2 23.5 -22.8 5 5 7 9.7 10.1 6 4 5 17.0 18.0

-4 2 3 16.9 18.5 -5 7 1 12.8 12.1 6 4 3 13.2 -12.6

-4 2 4 40.7 38.0 5 7 0 8.0 -7.8 6 4 2 11.0 -11.7

-4 2 5 14.2 15.5 5 7 1 23.1 -22.4 6 4 1 16.0 17.5

-4 2 8 17.8 17.6 5 7 2 7.4 -7.2 6 4 0 30.0 30.0

-4 2 11 9.6 9.4 5 7 5 9.5 -8.0 -6 4 1 7.8 7.9

-4 2 12 17.7 17.7 -5 9 1 48.8 -51.4 6 2 5 17.6 17.4

-4 2 13 9.7 8.4 5 9 0 47.9 49.9 6 2 4 19.0 19.0

-4 4 2 8.6 9.5 5 9 1 18.4 -19.9 6 2 2 8.0 -9.6

-4 4 3 23.8 23.9 5 9 2 24.4 23.9 6 2 0 16.0 16.9

-4 4 4 13.1 14.2 -5 9 5 25.2 -25.2 6 0 6 53.5 53.0

-4 4 5 14.1 -14.0 -5 9 4 44.3 43.5 6 0 5 40.6 -41.7

-4 4 7 21.0 19.9 -5 9 3 14.1 -12.8 6 0 4 5.6 5.3

-4 4 8 34.4 35.6 -5 9 2 12.8 -10.0 6 0 2 48.1 47.9

-4 4 10 16.9 -18.1 -5 7 9 18.7 -18.6 6 0 1 32.4 -31.3

-4 4 12 13.7 13.8 -5 7 8 12.5 -12.7 6 0 0 26.2 26.5

-4 6 2 64.3 67.2 -5 7 6 15.6 16.1 -6 0 1 33.1 -31.7

-4 6 3 82.2 -82.9 -5 7 5 6.2 -6.8 -6 0 2 88.3 88.2

-4 6 4 40.5 38.4 -5 7 4 32.4 -30.9 -6 0 3 50.7 -50.2

-4 6 5 22.8 -22.7 -5 7 3 19.7 -19.3 -6 0 4 8.4 9.0

-4 6 6 96.7 95.5 -5 7 2 13.5 12.3 -6 0 5 31.1 -31.0

-4 6 7 35.6 -35.6 -5 5 10 8.9 10.0 -6 0 6 66.1 65.3

-4 6 8 12.7 -11.8 -5 5 9 13.7 -14.2 -6 0 7 11.1 11.9

-4 6 9 20.5 -20.3 -5 5 8 19.9 -20.4 -6 0 9 54.5 -55.9

-4 6 10 48.4 49.3 -5 5 6 10.5 10.2 -6 0 10 38.4 40.4

-4 8 3 16.5 15.4 -5 5 5 3.9 -3.9 -6 2 3 8.0 7.6

-4 8 4 12.8 11.9 -5 5 4 21.8 -22.9 -6 2 4 22.2 22.4

-4 8 7 11.4 11.4 -5 5 3 16.1 -15.5 -6 2 6 10.8 -10.5

-4 8 8 24.8 24.8 -5 5 2 10.6 8.9 -6 2 8 16.5 18.8

-4 10 3 9.1 10.7 -5 3 11 44.4 -43.8 -6 2 9 20.5 21.1

-4 10 4 16.9 16.1 -5 3 9 34.4 -34.6 -6 4 2 15.5 -14.3

5 1 0 19.4 -18.8 -5 3 8 72.5 72.2 -6 4 3 8.9 -8.9

5 1 1 26.2 -26.1 -5 3 7 57.9 -58.6 -6 4 4 17.1 18.4

5 1 4 10.2 -10.5 -5 3 5 45.7 -43.5 -6 4 5 15.8 16.0

5 1 5 18.9 -19.4 -5 3 4 48.2 48.3 -6 6 2 81.8 81.8

5 1 7 10.0 9.4 -5 3 3 30.5 -28.6 -6 6 3 28.8 -28.4

-5 3 1 66.8 -66.1 -5 3 2 15.3 -12.6 -6 6 4 9.1 8.1

5 3 0 85.9 82.7 -5 1 12 5.7 -5.5 -6 6 5 37.2 -37.2

5 3 1 43.1 -39.6 -5 1 10 8.0 7.1 -6 6 6 41.8 41.5

5 3 2 19.0 22.4 -5 1 9 17.2 -19.6 -6 6 7 7.0 7.5

5 3 3 93.9 -93.7 -5 1 8 21.1 -21.5 -7 1 1 5.9 -5.2

5 3 4 35.6 36.3 -5 1 6 13.1 13.8 7 1 0 16.1 -15.6

5 3 5 12.9 10.4 -5 1 5 6.4 -6.3 7 1 1 6.8 -6.0

5 3 6 20.5 19.2 -5 1 4 32.7 -33.7 7 1 2 5.7 5.5

5 3 7 50.6 -49.2 -5 1 3 20.9 -21.2 -7 3 1 11.1 -12.2

5 5 0 19.7 -19.2 -5 1 2 12.1 10.5 7 3 0 42.4 42.7

H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/

7 3 1 26.5 -26.7 -7 3 3 48.4 -50.8 -7 1 5 16.9 -16.8

-7 3 6 22.3 24.3 -7 3 2 9.3 -8.0 -7 1 4 18.7 -17.6

-7 3 5 19.0 -19.2 -7 1 7 8.3 8.1 -7 1 2 7.5 8.1

-7 3 4 44.5 46.6 -7 1 6 4.9 4.8