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Heulandite-Ca |
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Mortier W J, Pearce J R |
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American Mineralogist 66 (1981) 309-314 |
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Thermal stability of the heulandite-type framework: Crystal structure of the |
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calcium/ammonium form dehydrated at 483K |
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_database_code_amcsd 0000810 |
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17.158 17.433 7.388 90 113.41 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .2591 .5 .0820 .603 0.0137 0.0044 0.0664 0 0.0082 0 |
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Ca2 .0326 0 .2901 .190 0.0052 0.0037 0.0504 0 0.0092 0 |
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Si1 .3200 .1632 .2343 .769 0.0014 0.0029 0.0086 0.0002 0.0011 0.0006 |
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Al1 .3200 .1632 .2343 .231 0.0014 0.0029 0.0086 0.0002 0.0011 0.0006 |
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Si2 .0668 .2137 .2154 .769 0.0019 0.0026 0.0090 0.0005 0.0015 0.0002 |
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Al2 .0668 .2137 .2154 .231 0.0019 0.0026 0.0090 0.0005 0.0015 0.0002 |
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Si3 .2162 .3145 .2018 .769 0.0026 0.0026 0.0092 0.0000 0.0022 0.0001 |
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Al3 .2162 .3145 .2018 .231 0.0026 0.0026 0.0092 0.0000 0.0022 0.0001 |
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Si4 .2020 .0895 .4121 .769 0.0028 0.0016 0.0119 0.0001 0.0024 0.0001 |
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Al4 .2020 .0895 .4121 .231 0.0028 0.0016 0.0119 0.0001 0.0024 0.0001 |
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Si5 0 .2956 .5 .769 0.0016 0.0024 0.0102 0 0.0019 0 |
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Al5 0 .2956 .5 .231 0.0016 0.0024 0.0102 0 0.0019 0 |
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O1 .4190 .1504 .3841 0.0019 0.0030 0.0189 0.0001 -.0003 0.0006 |
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O2 .2906 .2513 .2421 0.0032 0.0031 0.0149 0.0010 0.0017 0.0006 |
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O3 .3068 .1409 .0091 0.0043 0.0049 0.0128 0.0011 0.0033 0.0006 |
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O4 .0170 .2408 .3462 0.0052 0.0046 0.0347 -.0008 0.0089 -.0054 |
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O5 .2627 .1018 .2909 0.0032 0.0047 0.0271 -.0007 0.0049 0.0022 |
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O6 .1117 .1337 .3046 0.0043 0.0041 0.0401 0.0015 0.0057 0.0033 |
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O7 .2520 .3862 .3558 0.0068 0.0065 0.0160 0.0005 0.0014 -.0034 |
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O8 .1345 .2768 .2172 0.0054 0.0045 0.0522 -.0002 0.0117 0.0030 |
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O9 .1765 0 .4097 0.0071 0.0020 0.0580 0 0.0144 0 |
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O10 0 .1948 0 0.0109 0.0070 0.0087 0 -.0039 0 |
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