Megakalsilite
Khomyakov A P, Nechelyustov G N, Sokolova E V, Bonaccorsi E, Merlino S, Pasero M
The Canadian Mineralogist 40 (2002) 961-970
Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif,
Kola Peninsula, Russia: mineral description and crystal structure
Locality: Khibina alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0005778
18.1111 18.1111 8.4619 90 90 120 P6_3
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si(1) .8321 .8406 .1939 .0110  .0108  .0099  .0119  .0049 -.0006  .0007
Si(2) .6655 .6652 .7939 .0106  .0106  .0104  .0109  .0052 -.0007  .0004
Si(3) .6578 .4940 .1784 .0111  .0110  .0102  .0120  .0052  .0010 -.0004
Si(4) .5039 .6775 .1778 .0116  .0118  .0103  .0126  .0055  .0001 -.0016
Al(1) .8303 .8381 .8114 .0108  .0106  .0106  .0112  .0052  .0001  .0017
Al(2) .6683 .6682 .1834 .0110  .0115  .0108  .0107  .0055 -.0002  .0002
Al(3) .6554 .4915 .7961 .0109  .0122  .0111  .0105  .0066  .0002 -.0001
Al(4) .5014 .6761 .7962 .0110  .0102  .0104  .0120  .0050  .0009  .0006
K(1)      0     0 .4862 .0201  .0206  .0206  .0192  .0103      0      0
K(2)    2/3   1/3 .5052 .0208  .0204  .0204  .0218  .0102      0      0
K(3)    1/3   2/3 .5048 .0217  .0209  .0209  .0233  .0105      0      0
K(4)  .4776 .0047 .4916 .0230  .0291  .0213  .0208  .0141 -.0007  .0021
K(5)  .6665 .8126 .4946 .0235  .0238  .0264  .0199  .0123  .0023  .0007
K(6)  .8049 .6675 .4956 .0233  .0229  .0229  .0240  .0113  .0039  .0072
O(1)  .8161 .8533 .0101 .0175  .0188  .0200  .0150  .0106 -.0011 -.0008
O(2)  .6699 .6650 .9824 .0198  .0278  .0201  .0121  .0125 -.0003 -.0015
O(3)  .6272 .4778 .9951 .0155  .0150  .0171  .0143  .0078 -.0003  .0025
O(4)  .5164 .7065 .9940 .0171  .0203  .0159  .0135  .0079  .0003 -.0023
O(5)  .9308 .8671 .2178 .0172  .0130  .0167  .0221  .0074 -.0022  .0040
O(6)  .7365 .4676 .7714 .0163  .0131  .0167  .0204  .0083  .0062  .0036
O(7)  .8009 .3960 .2724 .0151  .0152  .0115  .0193  .0073  .0036 -.0006
O(8)  .9075 .8084 .7999 .0183  .0199  .0231  .0166  .0142  .0053  .0038
O(9)  .5250 .7663 .6852 .0178  .0187  .0188  .0202  .0127  .0072  .0065
O(10) .4361 .5771 .1895 .0193  .0198  .0116  .0227  .0049  .0052 -.0011
O(11) .7702 .7420 .2507 .0155  .0148  .0128  .0173  .0059 -.0043  .0002
O(12) .8981 .5948 .7519 .0160  .0138  .0162  .0137  .0042  .0024 -.0028
O(13) .9256 .3585 .2558 .0151  .0156  .0228  .0119  .0135 -.0029 -.0028
O(14) .3587 .9297 .7338 .0161  .0190  .0122  .0188  .0092  .0040  .0026
O(15) .5944 .9066 .2253 .0155  .0108  .0131  .0175  .0023  .0017 -.0039
O(16) .7348 .7584 .7258 .0168  .0172  .0150  .0159  .0062 -.0024 -.0005