Zeophyllite
Merlino S
Acta Crystallographica B28 (1972) 2726-2732
The crystal structure of zeophyllite
Locality: Radzein, Bohemia, Czech Republic
_database_code_amcsd 0009455
9.36 9.36 36.48 90 90 120 R-3
atom x y z occ Biso
Ca1 0 0 0 .2 .71
Al1 0 0 0 .7 .71
Mg1 0 0 0 .1 .71
Ca2 .4323 .1473 .01308 .70
Ca3 .4612 .3560 .09470 .983 .90
Na3 .4612 .3560 .09470 .017 .90
Si1 0 0 .11677 .77
Si2 .0898 .3024 .07305 .72
Si3 1/3 2/3 .06531 .73
O1 0 0 .16057 1.85
O2 .1302 .1855 .09984 1.01
O3 .2589 .4804 .08136 .95
O4 .3790 .0755 .08314 1.31
O5 .0803 .2514 .03042 .85
O6 1/3 2/3 .02123 1.29
F1 .4392 .3899 .03009 1.10
F2 2/3 1/3 .05399 .7 .58
Of2 2/3 1/3 .05399 .3 .58
F3 2/3 1/3 .12641 .5 1.40
OHf3 2/3 1/3 .12641 .5 1.40
Wat7 .4459 .4607 .15377 3.18
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Zeophyllite
Mikenda W, Pertlik F, Povondra P, Ulrych J
Mineralogy and Petrology 61 (1997) 199-209
On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and IR-investigations
Locality: Alter Berg, Radzein
Note: z-coordinate of Si2 was changed from 0.70304 to 0.07304 to match reported bond lengths
_database_code_amcsd 0014639
9.377 9.377 36.57 90 90 120 R-3
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1 0 0 0 .0147 .0147 .0159 0 0 .0073
Ca2 .14739 .43212 .01306 .0104 .0105 .0155 .0003 .0001 .0027
Ca3 .35721 .46172 .09488 .0129 .0148 .0179 -.0002 -.0003 .0036
Si1 0 0 .11682 .0168 .0168 .0141 0 0 .0084
Si2 .30188 .08902 .07304 .0096 .0099 .0137 -.0001 .0001 .0028
Si3 2/3 1/3 .06523 .0133 .0133 .0120 0 0 .0067
O1 0 0 .16056 .0332 .0332 .0217 0 0 .0166
O2 .1842 .1290 .09947 .0135 .0132 .0207 -.0003 .0023 .0038
O3 .4807 .2588 .08129 .0102 .0132 .0160 -.0006 .0002 .0027
O4 .0749 .3811 .08284 .0126 .0106 .0239 -.0005 -.0009 .0023
O5 2/3 1/3 .02143 .0190 .0190 .0124 0 0 .0095
O6 .2521 .0802 .03057 .0137 .0012 .0145 .0031 -.0009 -.0005
F1 .3887 .4388 .03029 .0156 .0141 .0173 -.0008 -.0004 .0044
F2 1/3 2/3 .05388 .0203 .0203 .0191 0 0 .0102
F3 1/3 2/3 .12686 .0356 .0356 .0281 0 0 .0178
Oh2 .4630 .4466 .15352 .0482 .0577 .0289 .0008 -.0035 .0191
H1 .376 .363 .1665 .015
H2 .576 .469 .1604 .015
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