American Mineralogist	Document AM-97-635	Galli_82(3-4)423-429.T5.txtTABLE 5 -  Thermal parameters, bond distances and angles for terranovaite     ******************* THERMAL PARAMETERS ********************** ATOM       U11      U22      U33      U23      U13      U12 T1       0.0180   0.0102   0.0103   0.0015   0.0000   0.0000          0.0009   0.0007   0.0007   0.0007   0.0000   0.0000 T2       0.0195   0.0105   0.0148  -0.0027   0.0000   0.0000          0.0009   0.0007   0.0008   0.0007   0.0000   0.0000 T3       0.0103   0.0199   0.0185   0.0047   0.0009  -0.0014          0.0005   0.0006   0.0005   0.0005   0.0004   0.0006 T4       0.0099   0.0151   0.0179   0.0008   0.0013   0.0002          0.0005   0.0005   0.0005   0.0005   0.0004   0.0006 T5       0.0134   0.0138   0.0134   0.0007   0.0000   0.0000          0.0008   0.0008   0.0008   0.0007   0.0000   0.0000 T6       0.0147   0.0106   0.0132   0.0030   0.0000   0.0000          0.0008   0.0007   0.0008   0.0006   0.0000   0.0000 T7       0.0225   0.0120   0.0092  -0.0015   0.0000   0.0000          0.0009   0.0008   0.0007   0.0007   0.0000   0.0000 T8       0.0143   0.0159   0.0084   0.0017   0.0000   0.0000          0.0008   0.0008   0.0007   0.0007   0.0000   0.0000 O1       0.0654   0.0482   0.0160   0.0000   0.0000   0.0000          0.0067   0.0057   0.0037   0.0000   0.0000   0.0000 O2       0.1014   0.0313   0.0182  -0.0090   0.0000   0.0000          0.0062   0.0033   0.0027   0.0025   0.0000   0.0000 O3       0.0289   0.0395   0.0737   0.0219  -0.0007   0.0110          0.0025   0.0026   0.0033   0.0023   0.0024   0.0021 O4       0.1573   0.0347   0.0231   0.0105   0.0000   0.0000          0.0126   0.0055   0.0045   0.0041   0.0000   0.0000 O5       0.0232   0.0324   0.0951  -0.0205  -0.0061   0.0093          0.0022   0.0022   0.0037   0.0026   0.0027   0.0018 O6       0.0629   0.1068   0.0218   0.0091  -0.0032   0.0020          0.0034   0.0044   0.0019   0.0026   0.0023   0.0033 O7       0.0121   0.0378   0.0703  -0.0020  -0.0039   0.0009          0.0017   0.0023   0.0028   0.0023   0.0019   0.0020 O8       0.0286   0.0431   0.0600  -0.0118   0.0014   0.0108          0.0023   0.0025   0.0028   0.0022   0.0022   0.0021 O9       0.0153   0.0298   0.0439  -0.0063   0.0028  -0.0020          0.0016   0.0018   0.0020   0.0022   0.0017   0.0016 O10      0.0279   0.0349   0.0525   0.0154  -0.0089  -0.0126          0.0021   0.0021   0.0025   0.0019   0.0021   0.0019 O11      0.0653   0.0291   0.0168   0.0088   0.0000   0.0000          0.0043   0.0030   0.0025   0.0023   0.0000   0.0000 O12      0.0612   0.0311   0.0251  -0.0048   0.0000   0.0000          0.0043   0.0033   0.0028   0.0026   0.0000   0.0000 O13      0.0436   0.0224   0.0249   0.0057   0.0000   0.0000          0.0035   0.0027   0.0027   0.0022   0.0000   0.0000 O14      0.0940   0.0208   0.0097   0.0000   0.0000   0.0000          0.0078   0.0039   0.0032   0.0000   0.0000   0.0000 O15      0.0940   0.0464   0.0118   0.0000   0.0000   0.0000          0.0080   0.0055   0.0035   0.0000   0.0000   0.0000 X1       0.0088          0.0014 X2       0.0198          0.0019 X3       0.1167          0.0038 X4       0.1200          0.0000 X5       0.1200          0.0000 X6       0.1200          0.0000 X7       0.1200          0.0000 X8       0.1041          0.0063 X9       0.0521          0.0074 X10      0.1500          0.0126 X11      0.1200          0.0000 X12      0.1106          0.0116             ************** ANGLES ******************0ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O1     T1     O2    105.23  0.42     1.618   1.617   2.571   O1     T1     O3    109.74  0.23     1.618   1.628   2.655   O1     T1     O3    109.74  0.23     1.618   1.628   2.655   O2     T1     O3    111.08  0.21     1.617   1.628   2.676   O2     T1     O3    111.08  0.21     1.617   1.628   2.676   O3     T1     O3    109.87  0.36     1.628   1.628   2.6650ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O2     T2     O4    110.59  0.28     1.637   1.604   2.665   O2     T2     O5    107.22  0.21     1.637   1.637   2.635   O2     T2     O5    107.22  0.21     1.637   1.637   2.635   O4     T2     O5    111.15  0.17     1.604   1.637   2.673   O4     T2     O5    111.15  0.17     1.604   1.637   2.673   O5     T2     O5    109.35  0.34     1.637   1.637   2.6710ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O3     T3     O6    109.73  0.26     1.597   1.579   2.597   O3     T3     O7    106.89  0.26     1.597   1.627   2.590   O3     T3     O8    109.99  0.24     1.597   1.620   2.635   O6     T3     O7    111.62  0.24     1.579   1.627   2.652   O6     T3     O8    109.08  0.26     1.579   1.620   2.605   O7     T3     O8    109.51  0.24     1.627   1.620   2.6520ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O5     T4     O6    110.28  0.26     1.600   1.599   2.625   O5     T4     O9    106.70  0.21     1.600   1.615   2.579   O5     T4     O10   109.44  0.23     1.600   1.608   2.618   O6     T4     O9    111.84  0.24     1.599   1.615   2.662   O6     T4     O10   109.28  0.26     1.599   1.608   2.615   O9     T4     O10   109.24  0.21     1.615   1.608   2.6270ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O9     T5     O9    103.11  0.22     1.664   1.664   2.606   O9     T5     O11   109.11  0.18     1.664   1.648   2.698   O9     T5     O12   111.55  0.18     1.664   1.627   2.721   O9     T5     O11   109.11  0.18     1.664   1.648   2.698   O9     T5     O12   111.55  0.18     1.664   1.627   2.721   O11    T5     O12   112.01  0.28     1.648   1.627   2.7160ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O10    T6     O10   109.34  0.35     1.607   1.607   2.622   O10    T6     O12   111.21  0.19     1.607   1.590   2.638   O10    T6     O13   106.93  0.19     1.607   1.623   2.595   O10    T6     O12   111.21  0.19     1.607   1.590   2.638   O10    T6     O13   106.93  0.19     1.607   1.623   2.595   O12    T6     O13   111.02  0.30     1.590   1.623   2.6480ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O8     T7     O8    110.45  0.35     1.589   1.589   2.610   O8     T7     O11   111.67  0.19     1.589   1.600   2.638   O8     T7     O14   108.66  0.21     1.589   1.609   2.598   O8     T7     O11   111.67  0.19     1.589   1.600   2.638   O8     T7     O14   108.66  0.21     1.589   1.609   2.598   O11    T7     O14   105.53  0.32     1.600   1.609   2.5550ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   O7     T8     O7    106.08  0.34     1.616   1.616   2.583   O7     T8     O13   112.07  0.21     1.616   1.620   2.684   O7     T8     O15   110.32  0.24     1.616   1.613   2.650   O7     T8     O13   112.07  0.21     1.616   1.620   2.684   O7     T8     O15   110.32  0.24     1.616   1.613   2.650   O13    T8     O15   106.04  0.41     1.620   1.613   2.5820ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T1     O1     T1    151.28  0.68     1.618   1.618   3.1350ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T1     O2     T2    148.08  0.46     1.617   1.637   3.1290ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T1     O3     T3    150.89  0.34     1.628   1.597   3.1220ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T2     O4     T2    180.00  0.00     1.604   1.604   3.2080ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T2     O5     T4    147.36  0.29     1.637   1.600   3.1060ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T3     O6     T4    170.42  0.36     1.579   1.599   3.1670ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T3     O7     T8    145.16  0.34     1.627   1.616   3.0950ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T3     O8     T7    150.82  0.30     1.620   1.589   3.1050ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T4     O9     T5    138.12  0.20     1.615   1.664   3.0620ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T4     O10    T6    146.57  0.29     1.608   1.607   3.0790ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T5     O11    T7    148.64  0.32     1.648   1.600   3.1270ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T5     O12    T6    179.67  0.40     1.627   1.590   3.2170ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T6     O13    T8    145.81  0.38     1.623   1.620   3.0990ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T7     O14    T7    148.66  0.52     1.609   1.609   3.0980ATOM1  ATOM2  ATOM3   ANGLE    SD     DIST12  DIST23  DIST13   T8     O15    T8    157.98  0.69     1.613   1.613   3.167   ******************** DISTANCES ***********************                       DIST.    S.D.        T1   -   O2    1.617    0.007 A             -   O1    1.618    0.003 A             -  2O3    1.628    0.005 A        T2   -   O4    1.604    0.002 A             -  2O5    1.637    0.004 A             -   O2    1.637    0.007 A        T3   -   O6    1.579    0.004 A             -   O3    1.597    0.005 A             -   O8    1.620    0.005 A             -   O7    1.627    0.004 A        T4   -   O6    1.599    0.004 A             -   O5    1.600    0.005 A             -   O10   1.608    0.005 A             -   O9    1.615    0.003 A        T5   -   O12   1.627    0.006 A             -   O11   1.648    0.005 A             -   2O9   1.664    0.003 A        T6   -   O12   1.590    0.006 A             -  2O10   1.607    0.004 A             -   O13   1.623    0.006 A        T7   -   2O8   1.589    0.004 A             -   O11   1.600    0.005 A              -   O14   1.609    0.003 A        T8   -   O15   1.613    0.003 A             -  2O7    1.616    0.004 A             -   O13   1.620    0.006 A        O1   -  2T1    1.618    0.003 A             -  2O2    2.571    0.007 A             -  4O3    2.655    0.006 A        O2   -   T1    1.617    0.007 A             -   T2    1.637    0.007 A             -   O1    2.571    0.007 A             -  2O5    2.635    0.007 A             -   O4    2.665    0.006 A             -  2O3    2.676    0.008 A        O3   -   T3    1.597    0.005 A             -   T1    1.628    0.005 A             -   O7    2.590    0.006 A             -   O6    2.597    0.006 A             -   O8    2.635    0.007 A             -   O1    2.655    0.006 A             -   O3    2.665    0.010 A             -   O2    2.676    0.008 A        O4   -  2T2    1.604    0.002 A             -  2O2    2.665    0.006 A             -  4O5    2.673    0.004 A        O5   -   T4    1.600    0.005 A             -   T2    1.637    0.004 A             -   O9    2.579    0.005 A             -   O10   2.618    0.007 A             -   O6    2.625    0.006 A             -   O2    2.635    0.007 A             -   O5    2.671    0.008 A             -   O4    2.673    0.004 A             -   X4    2.997    0.012 A        O6   -   T3    1.579    0.004 A             -   T4    1.599    0.004 A             -   O3    2.597    0.006 A             -   O8    2.605    0.006 A              -   O10   2.615    0.006 A              -   O5    2.625    0.006 A              -   O7    2.652    0.006 A             -   O9    2.662    0.006 A         O7   -   T8    1.616    0.004 A              -   T3    1.627    0.004 A             -   O7    2.583    0.008 A              -   O3    2.590    0.006 A             -   O15   2.650    0.006 A             -   O8    2.652    0.006 A             -   O6    2.652    0.006 A             -   O13   2.684    0.006 A             -   X9    2.776    0.026 A        O8   -   T7    1.589    0.004 A             -   T3    1.620    0.005 A             -   O14   2.598    0.006 A              -   O6    2.605    0.006 A             -   O8    2.610    0.008 A              -   O3    2.635    0.007 A             -   O11   2.638    0.006 A             -   O7    2.652    0.006 A        O9   -   T4    1.615    0.003 A             -   T5    1.664    0.003 A             -   X1    2.546    0.007 A             -   O5    2.579    0.005 A             -   O9    2.606    0.006 A             -   O10   2.627    0.005 A             -   O6    2.662    0.006 A             -   O11   2.698    0.005 A             -   O12   2.721    0.005 A        O10  -   T6    1.607    0.004 A             -   T4    1.608    0.005 A             -   O13   2.595    0.006 A             -   O6    2.615    0.006 A             -   O5    2.618    0.007 A             -   O10   2.622    0.008 A             -   O9    2.627    0.005 A             -   O12   2.638    0.006 A        O11  -   T7    1.600    0.005 A             -   T5    1.648    0.005 A             -   O14   2.555    0.005 A             -  2O8    2.638    0.006 A             -  2O9    2.698    0.005 A             -   O12   2.716    0.007 A        O12  -   T6    1.590    0.006 A             -   T5    1.627    0.006 A             -  2O10   2.638    0.006 A             -   O13   2.648    0.009 A             -   O11   2.716    0.007 A             -  2O9    2.721    0.005 A        O13  -   T8    1.620    0.006 A             -   T6    1.623    0.006 A             -   O15   2.582    0.007 A             -  2O10   2.595    0.006 A             -   O12   2.648    0.009 A             -  2O7    2.684    0.006 A              -   X5    2.813    0.017 A        O14  -  2T7    1.609    0.003 A             -  2O11   2.555    0.005 A             -  4O8    2.598    0.006 A        O15  -  2T8    1.613    0.003 A             -  2O13   2.582    0.007 A             -  4O7    2.650    0.006 A             -   X5    2.725    0.030 A        X1   -  2X8    2.150    0.021 A             -   X6    2.267    0.023 A             -   X6    2.315    0.022 A             -  2X4    2.377    0.012 A             -  2X8    2.487    0.019 A             -  2O9    2.546    0.007 A             -   X9    2.634    0.029 A        X2   -  2X7    2.292    0.023 A             -  2X3    2.360    0.014 A             -  4X12   2.412    0.038 A             -  4X4    2.450    0.011 A             -  2X9    2.764    0.028 A        X3   -   X2    2.360    0.014 A             -  2X9    2.520    0.023 A             -  2X4    2.757    0.014 A             -   X3    2.772    0.023 A        X4   -   X12   1.351    0.039 A             -   X9    2.284    0.025 A             -   X1    2.377    0.012 A             -   X2    2.450    0.011 A             -   X8    2.630    0.020 A             -   X3    2.757    0.014 A             -   X4    2.840    0.023 A             -   X7    2.963    0.019 A             -   O5    2.997    0.012 A        X5   -  2X11   1.895    0.023 A             -   X10   2.412    0.044 A             -   O15   2.725    0.030 A             -  2O13   2.813    0.017 A        X6   -  2X8    1.652    0.023 A             -   X9    1.755    0.033 A             -   X1    2.267    0.023 A             -   X1    2.315    0.022 A             -  2X8    2.963    0.026 A        X7   -   X7    1.776    0.041 A             -  2X12   1.903    0.041 A             -   X2    2.292    0.023 A             -   X11   2.669    0.031 A             -  2X4    2.963    0.019 A        X8   -   X6    1.652    0.023 A             -   X8    1.865    0.034 A             -   X1    2.150    0.021 A             -   X1    2.487    0.019 A             -   X9    2.582    0.028 A             -   X4    2.630    0.020 A             -   X8    2.887    0.043 A             -   X6    2.963    0.026 A        X9   -   X6    1.755    0.033 A             -  2X4    2.284    0.025 A             -  2X3    2.520    0.023 A             -  2X8    2.582    0.028 A             -   X1    2.634    0.029 A             -   X2    2.764    0.028 A             -  2O7    2.776    0.026 A        X10  -   X5    2.412    0.044 A        X11  -   X5    1.895    0.023 A             -   X7    2.669    0.031 A        X12  -   X4    1.351    0.039 A             -   X7    1.903    0.041 A             -   X12   2.380    0.072 A             -   X2    2.412    0.038 A