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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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| Download AMC data (View Text File)
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Stilbite-Na |
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Mortier W J |
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American Mineralogist 68 (1983) 414-419 |
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Thermal stability of the stilbite-type framework: crystal structure of the |
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dehydrated sodium/ammonium exchange form |
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_database_code_amcsd 0000894 |
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13.570 18.260 11.320 90 126.96 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 .2323 .2780 -.0339 .181 6.1 |
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Na2 0 .5 .5 .870 .0518 0.0065 .0705 0 0.0367 0 |
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Na3 .3860 .5 .2702 .695 .0239 0.0065 .0395 0 0.0198 0 |
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Al1' .0960 .2039 .2918 .020 2.0 |
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Si1' .0960 .2039 .2918 .057 2.0 |
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Al2' .1936 .2955 .2954 .018 1.2 |
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Si2' .1936 .2955 .2954 .049 1.2 |
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Al1 .99309 .19272 .25505 .235 .00327 0.0014 .00454 0.00010 .00272 0.00012 |
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Si1 .99309 .19272 .25505 .657 .00327 0.0014 .00454 0.00010 .00272 0.00012 |
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Al2 .26117 .30682 .25557 .237 .00235 0.0014 .00430 0.00001 .00177 -.00012 |
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Si2 .26117 .30682 .25557 .662 .00235 0.0014 .00430 0.00001 .00177 -.00012 |
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Al3 .20000 .08843 .49954 .263 .00465 0.0010 .00769 -.00017 .00389 -.00002 |
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Si3 .20000 .08843 .49954 .737 .00465 0.0010 .00769 -.00017 .00389 -.00002 |
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Al4 .11365 .31659 .50045 .263 .00334 0.0012 .00609 -.00012 .00307 -.00005 |
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Si4 .11365 .31659 .50045 .737 .00334 0.0012 .00609 -.00012 .00307 -.00005 |
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Al5 0 .25007 0 .263 .00348 0.0019 .00497 0 .00248 0 |
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Si5 0 .25007 0 .737 .00348 0.0019 .00497 0 .00248 0 |
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O1 .9804 .1987 .1018 .0100 0.0027 .0100 -.0018 0.0080 -.0014 |
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O2 .1203 .3021 .1050 .0042 0.0026 .0095 -.0004 0.0018 0.0012 |
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O3 .0617 .2668 .3557 .0111 0.0027 .0108 -.0013 0.0073 -.0021 |
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O4 .0693 .1189 .3500 .0083 0.0025 .0100 0.0012 0.0049 0.0015 |
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O5 .2927 .2525 .3535 .0080 0.0026 .0106 0.0008 0.0036 0.0021 |
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O6 .2812 .3790 .3521 .0088 0.0026 .0100 -.0003 0.0054 -.0017 |
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O7 .3513 .2123 .2054 .0073 0.0051 .0140 -.0012 0.0070 -.0023 |
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O8 .3182 .1103 .4996 .0068 0.0019 .0143 -.0006 0.0071 -.0002 |
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O9 .1871 0 .5028 .0083 0.0015 .0144 0 0.0076 0 |
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O10 0 .3460 .5 .0057 0.0025 .0132 0 0.0065 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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