American Mineralogist Crystal Structure Database

5 matching records for this search.

Struvite-(K)
 
Graeser S, Postl W, Bojar H P, Berlepsch P, Armbruster T, Raber T, Ettinger K, Walter F
 
European Journal of Mineralogy 20 (2008) 629-633
Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral
Locality: Lengenbach, Switzerland
_database_code_amcsd 0007262
6.892 6.166 11.139 90 90 90 Pmn2_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        0  .3662 .0032 .0586   .069  .0497   .057      0      0  .0120
Mg       0  .3825 .6492 .0201  .0220  .0169  .0215      0      0  .0018
P        0 -.0073 .2756 .0169  .0184  .0148  .0174      0      0 -.0007
O1       0 -.0214 .1381 .0275   .029   .028   .026      0      0   .003
O2       0 -.2381 .3293 .0272   .035   .018   .028      0      0   .006
O3   .1820  .1109 .3186 .0239  .0228  .0218   .027 -.0017   .002  -.003
O4     1/2  .3104 .0627  .049   .097   .021   .029      0      0      0
O5     1/2  .9147 .2409  .042   .020   .036   .071      0      0  -.031
O6   .2209  .2690 .5387 .0309   .027   .048   .018   .007   .001  -.005
O7   .2892  .5110 .2642 .0400   .041   .023   .056   .005   .024   .013
H41    1/2   .300 -.016  .037
H42    1/2   .256  .134  .037
H51   .391   .985  .251  .037
H61   .195   .251  .467  .037
H62   .303   .196  .584  .037
H71   .238   .401  .278  .037
H72   .186   .578  .290  .037
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Struvite
Download hom/struvite.pdf
Whitaker A, Jeffery J W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=26&spage=1429
Acta Crystallographica B26 (1970) 1429-1440
The crystal structure of struvite, MgNH4PO4*6H2O
Locality: synthetic
_database_code_amcsd 0020109
6.941 6.137 11.199 90 90 90 Pmn2_1
atom      x       y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg        0  .37648  .37185      .00850 .00939 .00301       0       0  .00011
P         0 -.00661 -.00052      .00788 .00749 .00243       0       0 -.00015
O1        0 -.02221  .86279      .01193 .01343 .00226       0       0 -.00028
O2        0  .76229  .05350      .01222 .00838 .00382       0       0 -.00022
O3   .18165  .11371  .04172      .00877 .01152 .00375 -.00243 -.00032 -.00216
OW1       0  .68219  .28610      .02966 .01125 .00374       0       0  .00335
OW2       0  .08012  .46451      .00877 .01819 .00950       0       0  .01499
OW3  .21797  .26377  .26205      .01237 .01851 .00358  .00553 -.00117 -.00260
OW4  .21055  .48534  .48494      .01272 .01183 .00681  .00074 -.00838 -.00512
NH4       0  .36849  .73063      .01440 .01068 .00371       0       0  .00638
HN1       0   .3034   .7507  4.0
HN2       0   .3034   .7507  4.0
HN3       0   .3034   .7507  4.0
HN4       0   .3034   .7507  4.0
H2        0   .7131   .2222  4.0
H3        0   .7814   .3150  4.0
H4    .0989   .0233   .4947  4.0
H5    .1883   .1874   .2059  4.0
H6    .2242   .8150   .7930  4.0
H7    .2348   .5868   .4994  4.0
H8    .1846   .5995   .0026  4.0
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Struvite-(K)
 
Mathew M, Schroeder L W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=11
Acta Crystallographica B35 (1979) 11-13
Crystal structure of a struvite analogue, MgKPO4*6H2O
Locality: synthetic
_database_code_amcsd 0009654
6.873 6.160 11.087 90 90 90 Pmn2_1
atom     x      y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0  .3681     0        .064   .048   .050      0      0   .010
Mg       0  .3830 .6487        .023   .016   .020      0      0  -.004
P        0 -.0069 .2744        .020   .015   .019      0      0  -.002
O1       0 -.0186 .1363        .031   .030   .013      0      0  -.003
O2       0 -.2386 .3285        .032   .012   .029      0      0   .009
O3   .1827  .1120 .3181        .020   .021   .027  -.003   .003  -.005
O4      .5  .3124 .0631        .108   .010   .028      0      0  -.013
O5      .5  .9144 .2404        .023   .031   .085      0      0  -.030
O6   .2223  .2737 .5382        .032   .047   .014   .009  -.002  -.006
O7   .2912  .5105 .2656        .040   .020   .051   .000   .018   .008
H1       0   .717  .503  3.0
H2      .5   .197  .084  3.0
H3    .382  -.013  .255  3.0
H4    .185   .228  .462  3.0
H5    .198   .802  .088  3.0
H6    .246   .408  .266  3.0
H7    .199   .593  .273  3.0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Struvite
Download hom/struvite.pdf
Abbona F, Calleri M, Ivaldi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=40&spage=223
Acta Crystallographica B40 (1984) 223-227
Synthetic struvite MgNH4PO4*6H2O: Correct polarity
and surface features of some complementary forms
Locality: synthetic
_database_code_amcsd 0019944
6.955 6.142 11.218 90 90 90 Pmn2_1
atom      x     y     z  Uiso
Mg        0 .6232 .6283 .0176
N         0 .6341 .2673 .0332
H1        0  .761  .224 .0397
H2        0  .666  .348 .0397
H3     .895  .551  .248 .0397
P         0 .0065 .0005 .0043
O1        0 .0220 .1378 .0226
O2        0 .2380 .9465 .0218
O3    .8179 .8863 .9584 .0211
OW1       0 .3163 .7137 .0376
H11       0  .305  .785 .0449
H12       0  .184  .685 .0449
OW2       0 .9214 .5356 .0406
H21    .897  .986  .503 .0489
OW3   .7825 .7369 .7382 .0265
H31    .815  .795  .806 .0319
H32    .720  .815  .702 .0319
OW4   .7892 .5147 .5148 .0321
H41    .768  .387  .512 .0385
H42    .702  .590  .493 .0385
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Struvite
Download hom/struvite.pdf
Ferraris G, Fuess H, Joswig W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=42&spage=253
Acta Crystallographica B42 (1986) 253-258
Neutron diffraction study of MgNH4PO4*6H2O (struvite)
and survey of water molecules donating short hydrogen bonds
_database_code_amcsd 0009807
6.955 6.142 11.218 90 90 90 Pmn2_1
atom     x      y      z Biso
Mg       0  .3766  .3741 1.28
N        0  .3657  .7351 2.60
HN1      0  .2186  .7832 3.30
HN2      0  .3311  .6473 6.16
HN3  .1148  .4557  .7535 5.13
P        0 -.0069  .0019 1.09
O1       0 -.0236 -.1351 1.67
O2       0 -.2382  .0558 1.70
O3   .1823  .1139  .0436 1.48
OW1      0  .6829  .2878 2.66
OW2      0  .0768  .4664 3.01
OW3  .2179  .2618  .2643 1.92
OW4  .2115  .4852  .4874 2.40
H11      0  .7192  .2017 2.81
H12      0  .8174  .3299 4.04
H21  .1157  .0070  .4999 2.51
H31  .1989  .2007  .1824 2.46
H32  .3169  .1702  .3020 2.62
H41  .3200  .3904  .5120 2.63
H42  .2511  .6354  .5027 2.68
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: 5
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