Hazenite
Yang H, Sun H J
Journal of Solid State Chemistry 177 (2004) 2991-2997
Crystal structure of a new phosphate compound, Mg2KNa(PO4)2*14H2O
Locality: synthetic
_database_code_amcsd 0014049
25.1754 6.9316 11.2189 90 90 90 Pnma
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2214   3/4 .5022 .0401  .0308  .0542  .0353      0 -.0089      0
Na   .0003   3/4 .9260 .0344  .0406  .0270  .0355      0  .0073      0
Mg1  .9542   3/4 .6387 .0150  .0154  .0136  .0159      0  .0007      0
Mg2  .2236   3/4 .8368 .0165  .0161  .0184  .0150      0  .0006      0
P1   .1281   1/4 .7222 .0148  .0155  .0159  .0130      0 -.0006      0
P2   .1273   3/4 .2205 .0144  .0156  .0128  .0149      0  .0013      0
O1   .1360   1/4 .8584 .0251  .0318  .0272  .0164      0 -.0027      0
O2   .1829   1/4 .6610 .0249  .0220  .0284  .0243      0  .0014      0
O3   .0974 .4319 .6859 .0230  .0234  .0199  .0258  .0007 -.0017  .0007
O4   .0676   3/4 .1948 .0269  .0200  .0266  .0341      0 -.0022      0
O5   .1382   3/4 .3549 .0236  .0300  .0226  .0183      0  .0006      0
O6   .1521 .9313 .1636 .0228  .0274  .0184  .0226 -.0012  .0038  .0012
Ow1  .0096   3/4 .5065 .0316  .0312  .0227  .0409      0  .0154      0
Ow2  .8940   3/4 .7611 .0377  .0480  .0169  .0480      0  .0297      0
Ow3  .9160 .5348 .5443 .0266  .0353  .0238  .0208 -.0082 -.0013  .0018
Ow4  .9947 .9582 .7374 .0259  .0208  .0227  .0343 -.0001  .0002 -.0056
Ow5  .2494 .5358 .7232 .0308  .0224  .0300  .0400  .0013  .0035 -.0115
Ow6  .1966 .9664 .9492 .0274  .0316  .0285  .0220  .0054  .0029  .0003
Ow7  .1551   3/4 .7311 .0316 .02503  .0220  .0478      0 -.0119      0
Ow8  .2973   3/4 .9259 .0409  .0199  .0743  .0285      0 -.0018      0
Ow9  .0597 .0098 .9826 .0356  .0314  .0435  .0319 -.0017 -.0032  .0084
H11   .030  .837  .485   .04
H21   .880  .854  .792   .04
H31   .893  .448  .575   .04
H32   .906  .550  .465   .04
H41   .974  .054  .757   .04
H42   .029  .998  .728   .04
H51   .228  .437  .708   .04
H52   .281  .494  .714   .04
H61   .179  .938  .020   .04
H62   .178  .053  .920   .04
H71   .134  .849  .721   .04
H81   .324   3/4  .900   .04
H82   .303   3/4  .012   .04
H91   .082  .067  .945   .04
H92   .078  .957  .036   .04