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(NH4)NaMg2(PO4)2*14H2O |
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Yang H, Martinelli L, Tasso F, Sprocati A R, Pinzari F, Liu Z, Downs R T, Sun H J |
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American Mineralogist 99 (2014) 1761-1766 |
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A new biogenic, struvite-related phosphate, the ammonium-analog of hazenite, |
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(NH4)NaMg2(PO4)2*14H2O |
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Locality: Synthetic |
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_database_code_amcsd 0020336 |
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6.9661 25.236 11.2919 90 90 90 Pmnb |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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N .75 .22146 .49832 .784 .0386 .0505 .0295 .0356 0 0 -.0080 |
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K .75 .22146 .49832 .216 .0386 .0505 .0295 .0356 0 0 -.0080 |
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Na .75 .00057 .92664 .0367 .0280 .0420 .0401 0 0 .0114 |
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Mg1 .75 .95466 .63939 .0143 .0139 .0142 .0149 0 0 .0021 |
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Mg2 .75 .22385 .83704 .0160 .0185 .0152 .0141 0 0 .0007 |
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P1 .25 .12865 .72105 .0149 .0157 .0152 .0139 0 0 -.0009 |
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P2 .75 .12589 .21724 .0142 .0132 .0147 .0145 0 0 .0023 |
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O1 .25 .13574 .8572 .0215 .0230 .0289 .0127 0 0 -.0019 |
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O2 .25 .18372 .6614 .0222 .0269 .0179 .0218 0 0 .0019 |
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O3 .4317 .09817 .6845 .0201 .0172 .0206 .0224 .0024 .0002 -.0029 |
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O4 .75 .06616 .1907 .0241 .0229 .0153 .0341 0 0 -.0001 |
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O5 .75 .13598 .3515 .0219 .0224 .0281 .0151 0 0 .0007 |
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O6 .9311 .15090 .1616 .0192 .0162 .0216 .0198 -.0014 .0019 .0062 |
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O7 .75 .00987 .5072 .0292 .0207 .0318 .0352 0 0 .0180 |
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O8 .75 .89480 .7615 .0366 .0145 .0469 .0484 0 0 .0336 |
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O9 .5359 .91630 .5449 .0253 .0237 .0349 .0173 -.0107 .0028 -.0010 |
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O10 .9586 .99535 .7373 .0233 .0203 .0194 .0302 -.0016 -.0064 .0001 |
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O11 .5341 .25019 .7262 .0292 .0306 .0182 .0387 .0004 .0124 .0070 |
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O12 .9644 .19572 .9484 .0238 .0273 .0267 .0174 .0048 .0000 .0022 |
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O13 .75 .15560 .7295 .0281 .0171 .0255 .0417 0 0 -.0129 |
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O14 .75 .29694 .9275 .0376 .0681 .0171 .0276 0 0 -.0019 |
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O15 .0114 .05941 .9812 .0329 .0421 .0272 .0293 -.0003 .0093 -.0019 |
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H11 .834 .026 .487 .04 |
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H21 .843 .880 .789 .04 |
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H31 .453 .899 .573 .04 |
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H32 .546 .909 .473 .04 |
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H41 .066 .976 .757 .04 |
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H42 .994 .025 .727 .04 |
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H51 .446 .228 .715 .04 |
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H52 .512 .277 .717 .04 |
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H61 .932 .182 .016 .04 |
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H62 .053 .174 .918 .04 |
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H71 .841 .136 .726 .04 |
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H81 .75 .317 .896 .04 |
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H82 .75 .300 .011 .04 |
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H91 .053 .081 .946 .04 |
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H92 .960 .076 .038 .04 |
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View JMOL 3-D Structure (permalink) |
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