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American Mineralogist Crystal Structure Database

1 matching records for this search.

Harkerite
Download hom/harkerite.pdf 
Giuseppetti G, Mazzi F, Tadini C
Download am/vol62/AM62_263.pdf 
American Mineralogist 62 (1977) 263-272
The crystal structure of harkerite
_database_code_amcsd 0000564
18.131 18.131 18.131 33.46 33.46 33.46 R-3m
atom      x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      .5      0      0      .0018  .0025  .0025 -.0006 -.0006 -.0019
Mg2       0     .5     .5      .0017  .0022  .0022 -.0009 -.0009 -.0010
Mg3   .2486  .2486  .2486      .0023  .0023  .0023 -.0012 -.0012 -.0012
Ca1   .1936  .1936  .6723      .0028  .0028  .0047 -.0010 -.0018 -.0018
Ca2   .3168  .3168 -.1982      .0044  .0044  .0076 -.0017 -.0028 -.0028
Ca3   .5592  .5592  .0725      .0055  .0055  .0075 -.0016 -.0034 -.0034
Ca4  -.0659 -.0659  .4498      .0032  .0032  .0061 -.0013 -.0023 -.0023
B1    .3176  .3176 -.0323      .0021  .0021  .0036 -.0008 -.0014 -.0014
B2    .3548  .3548  .3548      .0028  .0028  .0028 -.0013 -.0013 -.0013
Si1   .1361  .1361  .6039      .0046  .0046  .0054 -.0014 -.0026 -.0026
Si2   .1293  .1293  .1293      .0041  .0041  .0041 -.0018 -.0018 -.0018
C1    .2748  .2748 -.2917      .0057  .0057  .0070 -.0002 -.0041 -.0041
C2        0      0      0      .0071  .0071  .0071 -.0030 -.0030 -.0030
C3    .4895  .4895  .4895  .5  .0029  .0029  .0029 -.0012 -.0012 -.0012
Al    .0639  .0639  .0639      .0043  .0043  .0043 -.0020 -.0020 -.0020
O1    .0768  .5679 -.2099      .0108  .0076  .0033 -.0064 -.0023 -.0015
O2    .4107 -.0436  .7077      .0074  .0062  .0042 -.0028 -.0033 -.0020
O3    .3181  .3180  .0394      .0059  .0059  .0049 -.0018 -.0029 -.0029
O4    .1694  .1694  .4653      .0091  .0091  .0035 -.0066 -.0020 -.0020
O5    .4300  .4300  .2054      .0059  .0059  .0046 -.0022 -.0027 -.0027
O6    .0575  .0575  .3024      .0120  .0120  .0032 -.0101 -.0015 -.0015
OH    .4543  .4543  .4543  .5  .0135  .0135  .0135 -.0063 -.0063 -.0063
Cl    .4543  .4543  .4543  .5  .0135  .0135  .0135 -.0063 -.0063 -.0063
O7   -.0390 -.0390  .2383      .0126  .0126  .0078 -.0105 -.0020 -.0020
O8    .0975  .0975  .0975      .0155  .0155  .0155 -.0076 -.0076 -.0076
O9    .1708  .3776 -.2558      .0097  .0113  .0141 -.0043 -.0002 -.0102
O10   .2779  .2779 -.3660      .0224  .0224  .0109 -.0159 -.0058 -.0058
O11  -.1208  .1208      0  .5  .0106  .0106  .0131  .0062 -.0092 -.0092
O12   .5606  .5606  .3462  .5  .0066  .0066  .0044 -.0045 -.0013 -.0013


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	Total number of retrieved datasets: 1

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