Hydrogen in Nominally Anhydrous Upper Mantle Minerals: Concentration Levels and Implications
Table 1: Parameters of bands decomposition for each temperature of OH and OD bands in forsterite: Frequency (ν), bandwidth (δ) and integral absorption (Ai).
T (°c) / -194 / -150 / -100 / -50 / 0 / 25 / 50 / 100 / 150 / 200Window 3520 – 3650 cm-1; fit with 7 bands with Lorentzian shape and 2 bands with Gaussian + Lorentzian shape (*; (%) indicates % of Gaussian component) §
R2 / 0.9984 / 0.9979 / 0.9981 / 0.9988 / 0.9984 / 0.9984 / 0.9983 / 0.9986 / 0.9984 / 0.9984
ν (cm-1) / 3534.1 / 3533.8 / 3533.6 / 3533.2 / 3532.6 / 3532.4 / 3532.0 / 3532.0 / 3532.3 / 3532.6
Band 1a / δ (cm-1) / 3.29 / 3.36 / 3.82 / 4.47 / 4.76 / 5.10 / 5.14 / 5.34 / 5.60 / 7.39
A (cm-1) / 0.12 / 0.09 / 0.09 / 0.09 / 0.10 / 0.10 / 0.09 / 0.08 / 0.05 / 0.06
ν (cm-1) / 3544.4 / 3544.0 / 3544.0 / 3542.6 / 3541.9 / 3541.9 / 3542.0 / 3541.9 / 3541.6 / 3540.5
Band 2a / δ (cm-1) / 3.67 / 2.36 / 4.20 / 5.00 / 3.88 / 3.70 / 4.29 / 6.64 / 5.09 / 8.36
A (cm-1) / 0.02 / 0.02 / 0.07 / 0.08 / 0.05 / 0.03 / 0.05 / 0.07 / 0.05 / 0.07
ν (cm-1) / 3566.2 / 3564.4 / 3561.9 / 3558.7 / 3555.3 / 3553.0 / 3549.1 / 3545.3 / 3541.0 / 3538.6
*Band 3a / δ (cm-1) / 4.81 (0%) / 7.76 (0%) / 13.88 / 16.63 / 25.49 / 27.83 / 31.84 / 29.14 / 29.97 / 28.68
A (cm-1) / 0.44 / 0.69 / 0.61 / 0.86 / 0.64 / 0.70 / 0.84 / 0.72 / 0.80 / 0.66
ν (cm-1) / 3568.0 / 3567.8 / 3567.5 / 3567.1 / 3566.8 / 3566.7 / 3566.6 / 3566.4 / 3566.1 / 3566.1
Band 4a / δ (cm-1) / 1.97 / 2.07 / 2.28 / 2.86 / 3.57 / 4.21 / 5.05 / 7.24 / 8.26 / 9.86
A (cm-1) / 1.14 / 0.88 / 0.75 / 0.72 / 0.64 / 0.66 / 0.68 / 0.76 / 0.57 / 0.49
ν (cm-1) / 3581.4 / 3581.0 / 3580.5 / 3580.1 / 3579.6 / 3579.3 / 3579.0 / 3578.6 / 3578.4 / 3578.3
Band 5a / δ (cm-1) / 1.49 / 1.62 / 2.24 / 2.89 / 3.94 / 4.77 / 5.55 / 7.55 / 7.97 / 9.97
A (cm-1) / 0.32 / 0.33 / 0.41 / 0.43 / 0.46 / 0.49 / 0.52 / 0.55 / 0.36 / 0.35
ν (cm-1) / 3592.1 / 3592.0 / 3591.9 / 3591.2 / 3590.9 / 3590.8 / 3590.4 / 3590.3 / 3590.2 / 3590.1
Band 6a / δ (cm-1) / 2.05 / 2.70 / 3.30 / 3.50 / 3.56 / 3.70 / 4.29 / 6.19 / 7.66 / 8.46
A (cm-1) / 0.05 / 0.06 / 0.10 / 0.08 / 0.04 / 0.03 / 0.05 / 0.05 / 0.04 / 0.03
ν (cm-1) / 3614.5 / 3614.2 / 3613.7 / 3613.3 / 3613.0 / 3612.8 / 3612.6 / 3612.4 / 3612.2 / 3612.1
Band 7a / δ (cm-1) / 1.45 / 1.44 / 1.92 / 2.08 / 2.47 / 2.81 / 3.29 / 4.06 / 4.97 / 6.27
A (cm-1) / 0.51 / 0.47 / 0.51 / 0.41 / 0.37 / 0.35 / 0.38 / 0.33 / 0.30 / 0.26
ν (cm-1) / 3617.2 / 3615.5 / 3608.7 / 3605.0 / 3600.4 / 3597.9 / 3595.8 / 3592.1 / 3581.1 / 3575.0
*Band 8a / δ (cm-1) / 4.37 (33%) / 7.89 / 17.95 / 18.82 / 21.69 / 22.25 / 21.91 / 22.79 / 34.16 / 34.47
A (cm-1) / 0.59 / 0.43 / 0.65 / 0.66 / 0.69 / 0.66 / 0.66 / 0.53 / 0.64 / 0.67
ν (cm-1) / 3624.4 / 3624.3 / 3623.9 / 3623.1 / 3622.3 / 3621.9 / 3621.3 / 3620.2 / 3619.6 / 3618.4
Band 9a / δ (cm-1) / 1.1 / 0.66 / 1.01 / 1.06 / 1.1 / 1.60 / 1.66 / 1.56 / 3.56 / 6.64
A (cm-1) / 0.02 / 0.02 / 0.01 / 0.01 / 0.01 / 0.01 / 0.01 / 0.01 / 0.01 / 0.02
SA (cm-1) / 3.21 / 2.99 / 3.25 / 3.34 / 3.00 / 3.03 / 3.08 / 3.10 / 2.82 / 2.61
Window 3300 – 3520 cm-1; fit with bands of Lorentzian shape
R2 / 0.9836 / 0.9920 / 0.9902 / 0.9883 / 0.9689 / 0.9811 / 0.9787 / 0.9734 / 0.9640 / 0.9589
ν (cm-1) / 3326.3 / 3325.8 / 3324.8 / 3323.6 / 3322.9 / 3322.0 / 3321.0 / 3319.0 / 3319.4 / -
Band 1b / δ (cm-1) / 2.36 / 3.61 / 5.29 / 5.63 / 10.19 / 10.95 / 8.88 / 9.74 / 14.55 / -
A (cm-1) / 0.038 / 0.048 / 0.051 / 0.042 / 0.061 / 0.055 / 0.035 / 0.028 / 0.046 / -
ν (cm-1) / 3329.6 / 3329.2 / 3328.2 / 3327.4 / 3326.5 / 3326.1 / 3325.9 / 3325.5 / 3325.1 / -
Band 2b / δ (cm-1) / 1.52 / 1.60 / 2.18 / 2.15 / 2.94 / 4.84 / 5.44 / 4.78 / 7.63 / -
A (cm-1) / 0.013 / 0.010 / 0.010 / 0.009 / 0.006 / 0.007 / 0.011 / 0.012 / 0.0002 / -
ν (cm-1) / 3344.5 / 3344.5 / 3344.6 / 3344.5 / 3344.5 / 3344.6 / 3344.6 / 3344.5 / 3344.5 / 3344.6
Band 3b / δ (cm-1) / 1.29 / 1.64 / 1.98 / 2.16 / 3.10 / 3.56 / 4.08 / 6.30 / 7.85 / 8.03
A (cm-1) / 0.028 / 0.032 / 0.031 / 0.026 / 0.030 / 0.027 / 0.031 / 0.040 / 0.046 / 0.024
ν (cm-1) / 3353.5 / 3353.2 / 3352.5 / 3351.7 / 3350.8 / 3350.4 / 3350.1 / 3349.5 / 3349.3 / 3347.6
Band 4b / δ (cm-1) / 1.50 / 1.91 / 2.69 / 3.80 / 5.05 / 5.89 / 5.64 / 6.09 / 7.71 / 6.39
A (cm-1) / 0.064 / 0.066 / 0.069 / 0.065 / 0.066 / 0.062 / 0.051 / 0.037 / 0.027 / 0.021
ν (cm-1) / 3388.4 / 3388.6 / 3388.8 / 3389.1 / 3389.5 / 3388.2 / 3390.0 / 3390.7 / 3392.1 / 3393.2
Band 5b / δ (cm-1) / 2.95 / 3.24 / 3.85 / 4.51 / 3.84 / 2.69 / 5.19 / 7.37 / 4.97 / 6.60
A (cm-1) / 0.025 / 0.028 / 0.027 / 0.021 / 0.020 / 0.011 / 0.037 / 0.034 / 0.014 / 0.017
ν (cm-1) / 3392.6 / 3392.3 / 3391.8 / 3391.6 / 3391.4 / 3390.8 / 3388.2 / 3387.8 / 3387.2 / 3385.7
Band 6b / δ (cm-1) / 0.92 / 1.35 / 1.54 / 1.53 / 1.91 / 3.32 / 6.14 / 7.37 / 9.03 / 11.11
A (cm-1) / 0.007 / 0.009 / 0.008 / 0.003 / 0.006 / 0.019 / 0.007 / 0.032 / 0.095 / 0.131
ν (cm-1) / 3403.3 / 3403.5 / 3403.6 / 3404.0 / 3404.4 / 3404.7 / 3405.0 / 3405.8 / 3406.7 / 3407.6
Band 7b / δ (cm-1) / 2.20 / 2.46 / 2.91 / 3.36 / 4.68 / 5.95 / 6.96 / 9.79 / 12.14 / 14.31
A (cm-1) / 0.140 / 0.143 / 0.141 / 0.127 / 0.130 / 0.146 / 0.151 / 0.161 / 0.153 / 0.141
ν (cm-1) / 3419.1 / 3419.2 / 3419.2 / 3418.9 / 3418.8 / 3419.6 / 3419.5 / 3420.9 / 3420.3 / 3419.7
Band 8b / δ (cm-1) / 2.54 / 2.67 / 3.17 / 2.68 / 4.08 / 4.30 / 4.40 / 4.70 / 5.04 / 9.71
A (cm-1) / 0.031 / 0.028 / 0.026 / 0.015 / 0.017 / 0.023 / 0.021 / 0.010 / 0.010 / 0.010
ν (cm-1) / 3441.1 / 3441.6 / 3441.3 / 3441.1 / 3441.5 / 3441.2 / 3440.3 / 3441.3 / 3442.1 / -
Band 9b / δ (cm-1) / 1.84 / 1.06 / 2.18 / 1.77 / 3.10 / 1.70 / 4.80 / 5.20 / 6.73 / -
A (cm-1) / 0.005 / 0.003 / 0.005 / 0.003 / 0.030 / 0.004 / 0.004 / 0.003 / 0.003 / -
ν (cm-1) / 3449.4 / 2449.1 / 3448.7 / 3448.2 / 3448.0 / 3447.7 / 3447.5 / 3447.5 / 3447.3 / 3448.1
Band 10b / δ (cm-1) / 1.89 / 2.18 / 2.75 / 3.84 / 5.33 / 8.12 / 10.42 / 11.98 / 10.40 / 16.09
A (cm-1) / 0.108 / 0.102 / 0.095 / 0.089 / 0.090 / 0.121 / 0.135 / 0.110 / 0.061 / 0.077
ν (cm-1) / 3479.7 / 3479.1 / 3478.5 / 3478.0 / 3477.7 / 3477.2 / 3477.2 / 3476.6 / 3476.8 / 3474.9
Band 11b / δ (cm-1) / 2.42 / 2.19 / 4.51 / 6.01 / 9.62 / 12.00 / 13.44 / 14.18 / 14.84 / 14.42
A (cm-1) / 0.011 / 0.007 / 0.023 / 0.061 / 0.137 / 0.200 / 0.238 / 0.223 / 0.221 / 0.142
ν (cm-1) / 3487.0 / 3486.5 / 3485.6 / 3484.4 / 3483.9 / 3483.4 / 3483.2 / 3481.6 / 3482.8 / 3481.2
Band 12b / δ (cm-1) / 3.25 / 3.84 / 4.28 / 5.34 / 5.40 / 5.59 / 5.65 / 5.27 / 6.25 / 9.82
A (cm-1) / 0.046 / 0.045 / 0.044 / 0.047 / 0.034 / 0.031 / 0.029 / 0.030 / 0.023 / 0.071
SA (cm-1) / 0.516 / 0.521 / 0.530 / 0.508 / 0.527 / 0.706 / 0.750 / 0.720 / 0.699 / 0.644
Window 3050 – 3300 cm-1, fit with bands of Gaussian + Lorentzian shape (*; (%) indicates % of Gaussian component) §
R2 / 0.9983 / 0.9981 / 0.9984 / 0.9988 / 0.9988 / 0.9987 / 0.9990 / 0.9991 / 0.9982 / 0.9976
ν (cm-1) / 3151.3 / 3151.4 / 3152.4 / 3154.5 / 3157.5 / 3159.1 / 3160.7 / 3164.1 / 3168.2 / 3175.3
Band 1c / δ (cm-1) / 24.76(36%) / 27.93(39%) / 33.14(50%) / 39.76(69%) / 46.30 / 49.74 / 52.21 / 55.77 / 59.80 / 69.34
A (cm-1) / 5.97 / 5.58 / 4.75 / 4.13 / 3.26 / 3.14 / 2.85 / 2.37 / 2.06 / 2.12
ν (cm-1) / 3177.7 / 3179.6 / 3183.6 / 3188.2 / 3188.2 / 3190.0
Band 2c / δ (cm-1) / 21.07(3%) / 28.73 / 27.98 / 24.82 / 16.52 / 13.80
A (cm-1) / 0.73 / 0.54 / 0.44 / 0.32 / 0.08 / 0.03
ν (cm-1) / 3217.2 / 3216.5 / 3215.8 / 3214.8 / 3212.3 / 3212.8 / 3213.3 / 3215.8 / 3220.6 / 3232.7
Band 3c / δ (cm-1) / 12.67(61%) / 15.75 / 18.26 / 30.28 / 36.73 / 39.38 / 45.47 / 52.90 / 70.98 / 80.07
A (cm-1) / 0.46 / 0.40 / 0.35 / 0.39 / 0.65 / 0.61 / 0.69 / 0.74 / 1.20 / 1.22
SA (cm-1) / 7.16 / 6.52 / 5.74 / 4.84 / 3.99 / 3.78 / 3.54 / 3.11 / 3.26 / 3.34
§ When no % is indicated close to the bandwidth value for the specific band, the band is 100% Gaussian
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