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Struvite-K |
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Graeser S, Postl W, Bojar H P, Berlepsch P, Armbruster T, Raber T, Ettinger K, Walter F |
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European Journal of Mineralogy 20 (2008) 629-633 |
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Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral |
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Locality: Lengenbach, Switzerland |
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6.892 6.166 11.139 90 90 90 Pmn2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .3662 .0032 .0586 .069 .0497 .057 0 0 .0120 |
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Mg 0 .3825 .6492 .0201 .0220 .0169 .0215 0 0 .0018 |
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P 0 -.0073 .2756 .0169 .0184 .0148 .0174 0 0 -.0007 |
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O1 0 -.0214 .1381 .0275 .029 .028 .026 0 0 .003 |
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O2 0 -.2381 .3293 .0272 .035 .018 .028 0 0 .006 |
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O3 .1820 .1109 .3186 .0239 .0228 .0218 .027 -.0017 .002 -.003 |
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O4 1/2 .3104 .0627 .049 .097 .021 .029 0 0 0 |
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O5 1/2 .9147 .2409 .042 .020 .036 .071 0 0 -.031 |
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O6 .2209 .2690 .5387 .0309 .027 .048 .018 .007 .001 -.005 |
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O7 .2892 .5110 .2642 .0400 .041 .023 .056 .005 .024 .013 |
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H41 1/2 .300 -.016 .037 |
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H42 1/2 .256 .134 .037 |
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H51 .391 .985 .251 .037 |
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H61 .195 .251 .467 .037 |
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H62 .303 .196 .584 .037 |
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H71 .238 .401 .278 .037 |
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H72 .186 .578 .290 .037 |
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Struvite-K |
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Mathew M, Schroeder L W |
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Acta Crystallographica B35 (1979) 11-13 |
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Crystal structure of a struvite analogue, MgKPO4*6H2O |
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Locality: synthetic |
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6.873 6.160 11.087 90 90 90 Pmn2_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .3681 0 .064 .048 .050 0 0 .010 |
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Mg 0 .3830 .6487 .023 .016 .020 0 0 -.004 |
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P 0 -.0069 .2744 .020 .015 .019 0 0 -.002 |
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O1 0 -.0186 .1363 .031 .030 .013 0 0 -.003 |
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O2 0 -.2386 .3285 .032 .012 .029 0 0 .009 |
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O3 .1827 .1120 .3181 .020 .021 .027 -.003 .003 -.005 |
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O4 .5 .3124 .0631 .108 .010 .028 0 0 -.013 |
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O5 .5 .9144 .2404 .023 .031 .085 0 0 -.030 |
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O6 .2223 .2737 .5382 .032 .047 .014 .009 -.002 -.006 |
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O7 .2912 .5105 .2656 .040 .020 .051 .000 .018 .008 |
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H1 0 .717 .503 3.0 |
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H2 .5 .197 .084 3.0 |
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H3 .382 -.013 .255 3.0 |
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H4 .185 .228 .462 3.0 |
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H5 .198 .802 .088 3.0 |
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H6 .246 .408 .266 3.0 |
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H7 .199 .593 .273 3.0 |
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Struvite |
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Ferraris G, Fuess H, Joswig W |
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Acta Crystallographica B42 (1986) 253-258 |
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Neutron diffraction study of MgNH4PO4*6H2O (struvite) |
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and survey of water molecules donating short hydrogen bonds |
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6.955 6.142 11.218 90 90 90 Pmn2_1 |
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atom x y z Biso |
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Mg 0 .3766 .3741 1.28 |
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N 0 .3657 .7351 2.60 |
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HN1 0 .2186 .7832 3.30 |
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HN2 0 .3311 .6473 6.16 |
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HN3 .1148 .4557 .7535 5.13 |
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P 0 -.0069 .0019 1.09 |
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O1 0 -.0236 -.1351 1.67 |
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O2 0 -.2382 .0558 1.70 |
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O3 .1823 .1139 .0436 1.48 |
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OW1 0 .6829 .2878 2.66 |
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OW2 0 .0768 .4664 3.01 |
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OW3 .2179 .2618 .2643 1.92 |
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OW4 .2115 .4852 .4874 2.40 |
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H11 0 .7192 .2017 2.81 |
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H12 0 .8174 .3299 4.04 |
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H21 .1157 .0070 .4999 2.51 |
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H31 .1989 .2007 .1824 2.46 |
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H32 .3169 .1702 .3020 2.62 |
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H41 .3200 .3904 .5120 2.63 |
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H42 .2511 .6354 .5027 2.68 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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