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Giniite |
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Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K |
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Inorganic Chemistry 25 (1986) 2279-2280 |
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Synthesis of open-framework transition-metal phosphates using organometallic |
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precursors in acidic media. Preparation and structural characterization of |
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Fe5P4O20H10 and NaFe3P3O12 |
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Note: structure from ICSD |
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_database_code_amcsd 0012694 |
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17.4920 9.038 9.349 90 96.23 90 C2/c |
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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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Fe1 .5 .5984 .25 .0055 .0064 .0053 0 .0008 0 |
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Fe2 .31640 .08846 .18716 .0053 .0074 .0079 .0003 .0010 .0004 |
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Fe3 .32579 .47315 .12958 .0054 .0061 .0067 .0003 .0002 -.0010 |
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P1 .4175 .3198 .4100 .0049 .0052 .0045 .0008 -.0005 -.0003 |
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P2 .3392 .7582 .3688 .0042 .0059 .0054 .0001 .0005 -.0005 |
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O1 .4248 .7633 .3380 .006 .011 .009 .001 .000 .001 |
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O9 .2408 .5750 -.0322 .007 .010 .008 .002 .001 -.001 |
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O2 .4224 .4321 .2897 .004 .009 .010 .001 -.001 .002 |
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O3 .4898 .2157 .4199 .007 .013 .010 .008 -.002 -.005 |
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O4 .4165 .3933 .5575 .007 .009 .008 .002 -.001 -.004 |
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O5 .3458 .2244 .3689 .010 .010 .007 -.001 .000 -.002 |
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O6 .3355 .7296 .5320 .007 .010 .006 .000 .002 .003 |
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O7 .4201 -.0055 .1517 .010 .013 .018 .001 .005 .003 |
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O8 .2974 .6319 .2809 .004 .007 .010 -.002 .000 -.001 |
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O10 .2984 .9045 .3261 .010 .009 .006 .005 .001 .001 |
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H1 .4608 .050 .136 5.5 |
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H2 .4426 -.084 .226 6.9 |
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H3 .234 .684 .004 16.7 |
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View JMOL 3-D Structure
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Ferroalluaudite |
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Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K |
| |
Inorganic Chemistry 25 (1986) 2279-2280 |
|
Synthesis of open-framework transition-metal phosphates using organometallic |
|
precursors in acidic media. Preparation and structural characterization of |
|
Fe5P4O20H10 and NaFe3P3O12 |
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Note: structure from ICSD |
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_database_code_amcsd 0012695 |
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11.998 12.328 6.500 90 114.185 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .9709 .25 .0166 .1068 .0151 0 .0044 0 |
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Fe1 .78904 .83999 -.12791 .0116 .0078 .0104 .0004 .0068 .0001 |
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Fe2 .5 .78329 .25 .0101 .0106 .0107 0 .0063 0 |
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P1 .78365 .88869 .38621 .0087 .0073 .0074 .0003 .0039 -.0010 |
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P2 .5 .81971 -.25 .0073 .0077 .0064 0 .0026 0 |
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O1 .7855 .8205 .1928 .0107 .0103 .085 .0004 .0042 -.0010 |
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O2 .6451 .9085 .3436 .0088 .0093 .0156 .0005 .0060 .0010 |
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O3 .8460 .8286 .6107 .0119 .0116 .0074 .0019 .0039 .0015 |
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O4 .8456 .9975 .3987 .0121 .0085 .0132 -.0011 .0061 .0000 |
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O5 .6070 .8941 -.2321 .0089 .0095 .0147 -.0019 .0048 .0003 |
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O6 .5348 .7483 -.0381 .010 .0121 .0085 .0003 .0043 .0020 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Bearsite |
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Harrison W T A, Nenoff T M, Gier T E, Stucky G D |
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Inorganic Chemistry 32 (1993) 2437-2441 |
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Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: |
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Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O |
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Locality: synthetic |
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_database_code_amcsd 0012708 |
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7.2349 12.686 8.6548 90 98.439 90 P2_1/a |
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atom x y z Uiso |
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Be1 .6227 .1224 .3590 .0163 |
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Be2 .8508 .1265 .1107 .0170 |
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As .23796 .17406 .24214 .0121 |
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O1 .8251 .2545 .1070 .0172 |
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O2 .4017 .0923 .3342 .0159 |
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O3 .0697 .0928 .1546 .0157 |
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O4 .6568 .2488 .3741 .0174 |
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OH5 .7200 .0733 .2216 .0234 |
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Wat6 .7096 .0778 .5335 .0265 |
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Wat7 .7905 .0883 -.0731 .0233 |
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Wat8 .4158 .1502 .8331 .0355 |
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Wat9 .0307 .1810 .6445 .0337 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Na2ZnPO4OH*7H2O |
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Harrison W T A, Nenoff T M, Gier T E, Stucky G D |
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Inorganic Chemistry 32 (1993) 2437-2441 |
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Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: |
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Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O |
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_database_code_amcsd 0012709 |
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6.4212 21.612 8.6813 90 109.899 90 P2_1/a |
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atom x y z Uiso |
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Na1 .0339 .1927 .2686 .0324 |
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Na2 .0230 .0289 .1917 .0342 |
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Zn .49499 .74442 .36474 .0224 |
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P .6361 .85568 .1892 .0207 |
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O2 .4805 .8005 .1854 .0277 |
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O3 .3785 .6624 .2861 .0287 |
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O4 .5691 .9113 .2705 .0315 |
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O5 .6194 .8703 .0128 .0296 |
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OH1 .3101 .7627 .4975 .0231 |
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Wat6 .2538 .2386 .1150 .0312 |
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Wat7 .9450 .1244 .0297 .0377 |
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Wat8 .6827 .1396 .2882 .0372 |
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Wat9 .7909 .0190 .3545 .0350 |
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Watl0 .2716 .0102 .0434 .0346 |
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Wat11 .2712 .1049 .3844 .0380 |
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Wat12 .8185 .0650 .6633 .0340 |
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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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