Bannisterite
Heaney P J, Post J E, Evans H T
Clays and Clay Minerals 40 (1992) 129-144
The crystal structure of bannisterite
Locality: Broken Hill, Australia
_database_code_amcsd 0012233
22.286 16.3860 24.575 90 94.355 90 A2/a
atom       x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1   .06358 .39253 .25829 .553  .0098  .0137  .0191 -.0027  .0026 -.0023
Fe1   .06358 .39253 .25829 .457  .0098  .0137  .0191 -.0027  .0026 -.0023
Mg1   .06358 .39253 .25829 .014  .0098  .0137  .0191 -.0027  .0026 -.0023
Zn1   .06358 .39253 .25829 .007  .0098  .0137  .0191 -.0027  .0026 -.0023
Mn2   .06277 .19548 .24175 .553  .0077  .0093  .0186 -.0006  .0021  .0004
Fe2   .06277 .19548 .24175 .457  .0077  .0093  .0186 -.0006  .0021  .0004
Mg2   .06277 .19548 .24175 .014  .0077  .0093  .0186 -.0006  .0021  .0004
Zn2   .06277 .19548 .24175 .007  .0077  .0093  .0186 -.0006  .0021  .0004
Mn3   .18953 .48491 .25869 .553  .0108  .0104  .0221  .0002  .0021  .0008
Fe3   .18953 .48491 .25869 .457  .0108  .0104  .0221  .0002  .0021  .0008
Mg3   .18953 .48491 .25869 .014  .0108  .0104  .0221  .0002  .0021  .0008
Zn3   .18953 .48491 .25869 .007  .0108  .0104  .0221  .0002  .0021  .0008
Mn4   .18545 .28550 .24081 .553  .0090  .0104  .0216 -.0005 -.0003 -.0001
Fe4   .18545 .28550 .24081 .457  .0090  .0104  .0216 -.0005 -.0003 -.0001
Mg4   .18545 .28550 .24081 .014  .0090  .0104  .0216 -.0005 -.0003 -.0001
Zn4   .18545 .28550 .24081 .007  .0090  .0104  .0216 -.0005 -.0003 -.0001
Mn5   .18608 .08489 .23210 .553  .0131  .0119  .0237  .0003  .0025 -.0015
Fe5   .18608 .08489 .23210 .457  .0131  .0119  .0237  .0003  .0025 -.0015
Mg5   .18608 .08489 .23210 .014  .0131  .0119  .0237  .0003  .0025 -.0015
Zn5   .18608 .08489 .23210 .007  .0131  .0119  .0237  .0003  .0025 -.0015
Mn6   .31230 .38450 .24632 .553  .0105  .0110  .0262  .0003  .0033  .0007
Fe6   .31230 .38450 .24632 .457  .0105  .0110  .0262  .0003  .0033  .0007
Mg6   .31230 .38450 .24632 .014  .0105  .0110  .0262  .0003  .0033  .0007
Zn6   .31230 .38450 .24632 .007  .0105  .0110  .0262  .0003  .0033  .0007
Mn7   .31093 .18718 .23597 .553  .0097  .0103  .0241  .0013  .0033  .0017
Fe7   .31093 .18718 .23597 .457  .0097  .0103  .0241  .0013  .0033  .0017
Mg7   .31093 .18718 .23597 .014  .0097  .0103  .0241  .0013  .0033  .0017
Zn7   .31093 .18718 .23597 .007  .0097  .0103  .0241  .0013  .0033  .0017
Mn8   .43892 .49370 .26521 .553  .0156  .0165  .0268  .0014  .0019  .0041
Fe8   .43892 .49370 .26521 .457  .0156  .0165  .0268  .0014  .0019  .0041
Mg8   .43892 .49370 .26521 .014  .0156  .0165  .0268  .0014  .0019  .0041
Zn8   .43892 .49370 .26521 .007  .0156  .0165  .0268  .0014  .0019  .0041
Mn9   .43639 .29220 .24845 .553  .0084  .0089  .0199  .0014  .0010  .0014
Fe9   .43639 .29220 .24845 .457  .0084  .0089  .0199  .0014  .0010  .0014
Mg9   .43639 .29220 .24845 .014  .0084  .0089  .0199  .0014  .0010  .0014
Zn9   .43639 .29220 .24845 .007  .0084  .0089  .0199  .0014  .0010  .0014
Mn10  .43533 .09264 .23354 .553  .0125  .0112  .0226  .0017  .0039  .0017
Fe10  .43533 .09264 .23354 .457  .0125  .0112  .0226  .0017  .0039  .0017
Mg10  .43533 .09264 .23354 .014  .0125  .0112  .0226  .0017  .0039  .0017
Zn10  .43533 .09264 .23354 .007  .0125  .0112  .0226  .0017  .0039  .0017
Si1   .12276 .40089 .14051       .0096  .0083  .0096 -.0016  .0030 -.0016
Si2   .39916 .40131 .14150       .0094  .0085  .0154  .0018 -.0008 -.0010
Si3   .52154 .31697 .14636       .0074  .0074  .0136 -.0003  .0008 -.0002
Si4   .52222 .13100 .12898       .0086  .0074  .0155  .0009  .0001  .0002
Si5   .64427 .04517 .12842       .0072  .0093  .0168 -.0011  .0016 -.0015
Si6   .63928 .41348 .15170       .0055  .0072  .0139 -.0003  .0003  .0005
Si7   .76188 .32840 .15216       .0072  .0068  .0143 -.0007  .0008 -.0002
Si8   .76141 .14342 .14244       .0078  .0069  .0161 -.0009  .0021 -.0013
Si9   .87505 .04534 .12707       .0066  .0102  .0163 -.0005  .0029 -.0027
Si10  .88437 .41307 .15211       .0083  .0068  .0135 -.0006  .0012  .0010
Si11  .00105 .31627 .14439       .0075  .0073  .0151 -.0001  .0020 -.0012
Si12  .99775 .13038 .12698       .0090  .0099  .0160 -.0025  .0039 -.0027
Si13  .11169 .10688 .06476 .844  .0119  .0094  .0134 -.0002  .0024  .0005
Al13  .11169 .10688 .06476 .156  .0119  .0094  .0134 -.0002  .0024  .0005
Si14  .18347 .27205 .06454 .575  .0126  .0117  .0145 -.0004  .0023 -.0011
Al14  .18347 .27205 .06454 .425  .0126  .0117  .0145 -.0004  .0023 -.0011
Si15  .32627 .27292 .06505 .478  .0126  .0116  .0147  .0002  .0002 -.0013
Al15  .32627 .27292 .06505 .522  .0126  .0116  .0147  .0002  .0002 -.0013
Si16  .39845 .10772 .06564 .921  .0111  .0088  .0136 -.0006  .0011 -.0001
Al16  .39845 .10772 .06564 .079  .0111  .0088  .0136 -.0006  .0011 -.0001
O1     .1384  .3901  .2052       .0154  .0103  .0189  .0022  .0050  .0013
O2     .3959  .3922  .2063       .0136  .0142  .0137  .0033  .0013  .0000
O3     .4793  .1914  .2884       .0119  .0144  .0143  .0014  .0024  .0003
O4     .4808  .3903  .3072       .0151  .0201  .0157  .0044  .0039  .0030
O5     .3564  .4791  .3075       .0147  .0173  .0215  .0052  .0015  .0006
O6     .3564  .0850  .2826       .0084  .0091  .0163 -.0003 -.0006 -.0008
O7     .2319  .1794  .2820       .0131  .0149  .0116 -.0004  .0009  .0005
O8     .2317  .3730  .2930       .0130  .0105  .0116  .0009  .0010 -.0007
O9     .1134  .4773  .3089       .0123  .0153  .0176  .0007  .0010 -.0037
O10    .1071  .0870  .2818       .0127  .0093  .0156 -.0017  .0016 -.0016
O11    .0129  .3061  .2094       .0100  .0135  .0143  .0024  .0039  .0006
O12    .0127  .1098  .1910       .0145  .0217  .0144 -.0030  .0015 -.0013
O13    .1033  .0975 -.0007       .0275  .0293  .0095 -.0051 -.0058 -.0016
O14    .1670  .2985  .0001       .0229  .0133  .0192  .0056 -.0016  .0017
O15    .1303  .4967  .1257       .0200  .0098  .0134 -.0018 -.0015  .0007
O16    .0537  .3726  .1221       .0124  .0195  .0167 -.0079  .0036  .0018
O17    .1686  .3518  .1053       .0168  .0155  .0238 -.0036  .0050 -.0041
O18    .1410  .1941  .0838       .0173  .0198  .0203 -.0006  .0044  .0009
O19    .0461  .0926  .0894       .0148  .0136  .0269  .0000  .0080 -.0023
O20    .1545  .0336  .0907       .0150  .0162  .0363 -.0012  .0070  .0086
O21    .2556  .2515  .0784       .0218  .0205  .0284  .0034  .0050  .0007
O22    .3908  .4970  .1262       .0209  .0110  .0170  .0007  .0007 -.0001
O23    .4640  .3712  .1235       .0140  .0221  .0135  .0063  .0023  .0024
O24    .3477  .3531  .1064       .0201  .0171  .0218  .0010 -.0014 -.0046
O25    .3721  .1942  .0844       .0150  .0175  .0189 -.0013  .0020 -.0007
O26    .3598  .0348  .0908       .0148  .0160  .0306  .0045 -.0016  .0094
O27    .4668  .0937  .0918       .0127  .0113  .0281  .0010 -.0050 -.0050
O28    .4801  .2717  .3817       .0251  .0094  .0166 -.0018  .0019 -.0006
O29    .2993  .1252  .3697       .0077  .0119  .0203  .0022  .0025  .0022
O30    .4179  .1404  .3712       .0136  .0175  .0245 -.0078  .0038  .0004
O31    .4164  .4063  .3921       .0112  .0189  .0134  .0032  .0033 -.0009
O32    .3011  .3946  .3830       .0136  .0195   .028 -.0024  .0022  .0034
O33    .2399  .2616  .3740       .0230  .0107  .0148 -.0006 -.0008  .0000
O34    .1811  .1229  .3691       .0135  .0143  .0179 -.0043  .0031  .0011
O35    .0634  .1422  .3725       .0123  .0164  .0229  .0044  .0030 -.0031
O36    .0018  .2722  .3841       .0181  .0116  .0197  .0006 -.0010 -.0019
O37    .0676  .4058  .3937       .0112  .0142  .0267 -.0055  .0064 -.0024
O38    .1826  .3964  .3853       .0117  .0220  .0176  .0044  .0022 -.0004
OH39   .0201  .4958  .2247       .0104  .0135  .0218 -.0027  .0026 -.0027
OH40   .3931  .1955  .1991       .0114  .0150  .0183  .0014  .0054 -.0023
OH41   .2701  .4893  .2172       .0100  .0102  .0262 -.0008  .0045  .0036
OH42   .2654  .2891  .2006       .0183  .0106  .0228 -.0031  .0040  .0019
OH43   .2681  .0850  .1933       .0172  .0136  .0192  .0013  .0027 -.0016
OH44   .1401  .1912  .1978       .0152  .0149  .0162 -.0028  .0018 -.0003
OH45   .3550  .2826  .2868       .0078  .0157  .0223  .0001  .0001  .0003
OH46   .1093  .2850  .2880       .0135  .0111  .0108 -.0021  .0013  .0015
Ca     .2292  .5584  .0003   .5   .077   .044   .121  -.008   .004  -.008
K1       .25  .9720      0 .263   .107   .133   .036      0  -.007      0
K2     .0176  .9745  .0012 .152   .042   .070   .027  -.051   .004  -.007
Wat50  .2558  .4709  .0742        .033   .026   .117  -.001   .011  -.015
Wat51  .1485  .4734  .0001   .5   .044   .053   .043  -.001  -.004   .008
Wat52  .1412  .6409  .0008   .5   .166   .071   .084   .040   .016  -.013
Wat53  .2467  .6981 -.0041   .5   .275   .066   .084  -.025   .025  -.020
Wat54  .3361  .5479 -.0013   .5   .066   .208   .091   .041   .006   .003
Wat55  .1762  .8110  .0020   .5   .318   .075   .072  -.025  -.026   .003
Wat56  .4100  .4461  .0015   .5   .386   .143   .063  -.150  -.016   .002
Wat57    .25  .0928      0  .33   .074   .145   .097      0   .018      0
Wat58  .4781  .2807 -.0005  .57   .319   .763   .143   .079   .058  -.116
Wat59  .0402  .5529 -.0035  .93   .304   .458   .362   .192   .039   .096
Wat60  .3925  .7495 -.0023   .5   .315   .627   .099  -.119   .017  -.050