American Mineralogist Crystal Structure Database

2 matching records for this search.

Hazenite
 
Yang H, Sun H J, Downs R T
 
American Mineralogist 96 (2011) 675-681
Hazenite, KNaMg2(PO4)2*14H2O, a new biologically related phosphate mineral,
from Mono Lake, California, U.S.A.
Locality: Mono Lake, California, USA
_database_code_amcsd 0018338
6.9349 25.1737 11.2195 90 90 90 Pmnb
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K      .75 .2216 .5014 .0401  .0535  .0290  .0376      0      0 -.0096
Na     .75 .0004 .9259 .0354  .0272  .0405  .0384      0      0  .0091
Mg1    .75 .9543 .6388 .0155  .0140  .0149  .0175      0      0  .0022
Mg2    .75 .2237 .8366 .0169  .0185  .0154  .0169      0      0  .0004
P1     .25 .1281 .7219 .0138  .0143  .0127  .0145      0      0  .0001
P2     .75 .1272 .2201 .0131  .0113  .0129  .0152      0      0  .0023
O1     .25 .1358 .8584 .0264  .0256  .0311  .0225      0      0 -.0032
O2     .25 .1828 .6608 .0241  .0287  .0159  .0277      0      0  .0033
O3   .4317 .0976 .6859 .0223  .0184  .0218  .0267  .0012 -.0006 -.0006
O4     .75 .0673 .1945 .0248  .0229  .0157  .0357      0      0 -.0027
O5     .75 .1380 .3546 .0217  .0223  .0258  .0172      0      0  .0001
O6   .9315 .1519 .1630 .0213  .0156  .0256  .0227 -.0021  .0026  .0047
OW7    .75 .0095 .5068 .0309  .0214  .0303  .0410      0      0  .0174
OW8    .75 .8944 .7614 .0363  .0138  .0440  .0510      0      0  .0293
OW9  .5349 .9161 .5446 .0255  .0220  .0333  .0211 -.0094  .0024 -.0016
OW10 .9578 .9947 .7375 .0244  .0208  .0192  .0333 -.0017 -.0049  .0005
OW11 .5359 .2493 .7231 .0308  .0301  .0212  .0412  .0002 -.0117  .0051
OW12 .9662 .1966 .9489 .0264  .0281  .0297  .0215  .0040  .0006  .0038
OW13   .75 .1554 .7305 .0304  .0203  .0229  .0479      0      0 -.0114
OW14   .75 .2975 .9256 .0405  .0768  .0176  .0270      0      0 -.0042
OW15 .0100 .0597 .9823 .0344  .0404  .0301  .0326  .0002  .0081 -.0035
H11   .841  .026  .484
H21   .850  .879  .790
H31   .454  .896  .572
H32   .549  .909  .467
H41   .057  .977  .758
H42   .999  .023  .723
H51   .450  .230  .707
H52   .503  .278  .714
H61   .940  .181  .017
H62   .051  .179  .921
H71   .847  .135  .722
H81    .75  .327  .890
H82    .75  .305  .003
H91   .057  .080  .946
H92   .954  .076  .039
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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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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