|
Polyhalite |
 |
Bindi L |
 |
Acta Crystallographica E61 (2005) i135-i136 |
|
Reinvestigation of the crystal structure of polyhalite, K2Ca2Mg(SO4)4*2H2O |
|
_database_code_amcsd 0010450 |
|
6.975 6.984 8.899 104.01 101.19 114.10 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .52448 .78828 .57178 .0229 .0199 .0244 .0227 .0100 .0070 .0067 |
|
Ca .12539 .36459 -.25711 .0146 .0132 .0144 .0162 .0067 .0049 .0052 |
|
Mg 0 0 0 .0153 .0140 .0152 .0138 .0065 .0030 .0028 |
|
S1 .31293 .56434 .14152 .0125 .0121 .0127 .0125 .0065 .0044 .0028 |
|
S2 -.05661 .18567 .35769 .0131 .0144 .0125 .0124 .0073 .0045 .0030 |
|
O1 -.0370 .0082 .2369 .0174 .0246 .0158 .0138 .0126 .0066 .0031 |
|
O2 .1284 .3354 .0387 .0220 .0187 .0153 .0239 .0065 .0019 .0007 |
|
O3 .4986 .5540 .2415 .0202 .0186 .0232 .0172 .0114 .0033 .0038 |
|
O4 -.2344 .3100 .7517 .0189 .0172 .0203 .0156 .0086 .0057 .0010 |
|
O5 .3782 .6721 .0222 .0216 .0253 .0211 .0200 .0115 .0094 .0077 |
|
O6 -.1728 .2786 .2687 .0188 .0213 .0190 .0186 .0129 .0045 .0065 |
|
O7 -.1778 .0844 .4601 .0211 .0229 .0223 .0219 .0107 .0118 .0108 |
|
O8 .1677 .3610 .4680 .0223 .0168 .0198 .0191 .0052 .0003 -.0002 |
|
Wat9 .3107 .0432 .0829 .0152 .0132 .0135 .0244 .0083 .0103 .0090 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Polyhalite |
|
Schlatti M, Sahl K, Zemann A, Zemann J |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 14 (1970) 75-86 |
|
Die kristallstruktur des polyhalits, K2Ca2Mg(SO4)4(H2O)2 |
|
_database_code_amcsd 0015636 |
|
11.69 16.330 7.60 91.6 90.0 91.9 F-1 |
|
atom x y z Biso |
|
K .13189 .28615 .63004 1.30 |
|
Ca .11914 .37120 .12619 .80 |
|
Mg 0 0 0 .75 |
|
S1 .12582 .07054 .63225 .65 |
|
S2 .12061 .17896 .11415 .68 |
|
O1 .02782 .12014 .59472 1.50 |
|
O2 .22760 .12428 .66306 1.04 |
|
O3 .10304 .01950 .78843 1.13 |
|
O4 .14787 .01101 .48555 1.35 |
|
O5 .13167 .22955 .27763 1.35 |
|
O6 .09617 .23414 .96862 1.34 |
|
O7 .02245 .11814 .13130 1.23 |
|
O8 .22550 .13457 .08081 1.13 |
|
Wat9 .13515 .45748 .63492 1.06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
