Fischer K F
American Mineralogist 48 (1963) 664-672
The crystal structure determination of the zeolite gismondite. CaAl2Si2O8.4H2O
_database_code_amcsd 0000123
10.02 10.62 9.84 90 92.42 90 P2_1/c
atom x y z occ
Si1 .415 .113 .182
Si2 .908 .870 .160
Al1 .097 .113 .170
Al2 .590 .867 .149
Ca .720 .077 .354
O1 .078 .154 -.001
O2 .262 .075 .212
O3 .438 .145 .026
O4 .246 .407 .303
O5 0 -.017 .215
O6 .044 .242 .261
O7 .463 .224 .276
O8 .511 -.005 .226
Wat1 .257 .107 .505
Wat2 .590 .127 .539
Wat3 .911 .119 .501
Wat4 .77 .21 .17 .5
Wat5 .74 .18 .895 .5
American Mineralogist 51 (1966) 814-818
A further refinement of the crystal structure of cummingtonite
(Mg,Fe)7(Si4O11)2(OH)2
_database_code_amcsd 0000145
9.51 18.19 5.33 90 101.9 90 C2/m
atom x y z occ Biso
Si1 .2874 .0842 .2746 .36
Si2 .2977 .1688 .7817 .43
Mg1 0 .0872 1/2 .84 .38
Fe1 0 .0872 1/2 .16 .38
Mg2 0 .1773 0 .95 .36
Fe2 0 .1773 0 .05 .36
Mg3 0 0 0 .84 .30
Fe3 0 0 0 .16 .30
Mg4 0 .2597 1/2 .13 .79
Fe4 0 .2597 1/2 .87 .79
O1 .1135 .0874 .2087 .56
O2 .1232 .1721 .7193 .67
O3 .1134 0 .7067 .81
O4 .3798 .2460 .7716 .89
O5 .3514 .1310 .0659 .89
O6 .3488 .1185 .5597 1.01
O7 .3417 0 .2719 .88
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