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Fe1.21PO4X (X=F,OH,H2O) |
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Loiseau T, Lacorre P, Calage Y, Greneche J, Ferey G |
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Journal of Solid State Chemistry 105 (1993) 417-427 |
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Crystal structure and magnetic study of a new iron(III) phosphate, |
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Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O |
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_cod_database_code 1000351 |
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_database_code_amcsd 0013783 |
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5.184 5.184 13.040 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 0 .0330 .4988 .303 .0107 .0112 .0122 0 0 -.0002 |
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P1 0 .75 .125 .0104 .0104 .0118 0 0 0 |
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O1 0 .5058 .1912 .0247 .0273 .0322 0 0 .0172 |
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F1 0 .25 .375 .45 .0197 .0197 .0168 0 0 0 |
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O2 0 .25 .375 .55 .0197 .0197 .0168 0 0 0 |
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F Fe H4 N O4 P |
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Loiseau T, Calage Y, Lacorre P, Ferey G |
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Journal of Solid State Chemistry 111 (1994) 390-396 |
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NH4FePO4F: structural study and magnetic properties |
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_cod_database_code 1000359 |
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_database_code_amcsd 0013817 |
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12.993 6.468 10.640 90 90 90 Pna2_1 |
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atom x y z |
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Fe1 .3868 .4911 .0007 |
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Fe2 .2471 .253 .2508 |
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P1 .5015 .3289 .2498 |
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P2 .1841 .4994 .5035 |
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F1 .2748 .4717 .1298 |
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F2 .2279 .0327 .3801 |
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O1 .4867 .4729 .1355 |
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O2 .5168 .4686 .3659 |
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O3 .4037 .2024 .2694 |
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O4 .5964 .1893 .2304 |
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O5 .1164 .3098 .5320 |
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O6 .1166 .6904 .4756 |
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O7 .2538 .5487 .6163 |
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O8 .2552 .4570 .3889 |
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N1 .3897 .7825 .3131 |
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N2 .0996 .6780 .0646 |
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H1 .393 .910 .327 |
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H2 .390 .761 .235 |
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H3 .335 .733 .344 |
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H4 .441 .724 .346 |
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H5 .132 .672 0 |
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H6 .117 .584 .110 |
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H7 .039 .666 .050 |
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H8 .110 .785 .099 |
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F2 Ga3 H10.5 N1.5 O12.5 P3 |
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Loiseau T, Taulelle F, Ferey G |
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Microporous Materials 9 (1997) 83-93 |
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Crystal structure and solid-state nuclear magnetic resonance |
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characterization of an oxyfluorinated three-dimensional framework |
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gallophosphate with ULM-4 structural type. Structural relationships |
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with (Ga As O4)-2 |
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_cod_database_code 1000458 |
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_database_code_amcsd 0014402 |
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8.674 10.190 16.82599 90 94.21 90 P2_1/n |
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atom x y z occ |
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Ga1 .2689 .8271 .2010 |
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Ga2 .9248 .6608 .2317 |
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Ga3 .4165 .8519 .4029 |
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P1 .0963 .6419 .0713 |
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P2 .6239 .8541 .2565 |
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P3 .2215 .6252 .3370 |
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F1 .0483 .8284 .2204 |
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F2 .2966 .9192 .3036 |
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O1 .2337 .7207 .1063 |
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O2 .3480 .0033 .4499 |
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O3 .9692 .6237 .1292 |
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O4 .5324 .7873 .4962 |
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O5 .5795 .8175 .3407 |
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O6 .4902 .8342 .1920 |
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O7 .8155 .4955 .2428 |
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O8 .7522 .7612 .2358 |
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O9 .2951 .6656 .2617 |
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O10 .0433 .6388 .3268 |
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O11 .2760 .7133 .4094 |
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O12 .2339 .9848 .1395 |
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N1 .999 .028 .3507 |
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C1 0 0 .5 |
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C2 .970 .951 .418 .5 |
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C3 .965 .073 .433 .5 |
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O13 .4487 .5096 .5240 .5 |
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N2 .3325 .4663 .5922 .167 |
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C4 .3325 .4663 .5922 .25 |
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N3 .1901 .4207 .5472 .167 |
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C5 .1901 .4207 .5472 .25 |
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N4 .0631 .5348 .5245 .167 |
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C6 .0631 .5348 .5245 .25 |
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GaP04*2H20 |
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Loiseau T, Paulet C, Ferey G |
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Solid State Chemistry and Crystal Chemistry 1 (1998) 667-674 |
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Crystal structure determination of the hydrated gallium phosphate GaPO4*2H2O, analog of variscite |
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_database_code_amcsd 0015448 |
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9.9260 8.6189 9.7622 90 90 90 Pbca |
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atom x y z Uiso |
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Ga .1323 .1539 .1704 .009 |
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P .1497 .4682 .3554 .008 |
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O1 .1105 .2989 .3233 .012 |
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O2 .0477 .5827 .2921 .012 |
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O3 .2888 .5046 .2956 .012 |
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O4 .1483 .4860 .5122 .011 |
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OW1 .0577 .3336 .0568 .015 |
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OW2 .3088 .2329 .1114 .013 |
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H11 .0644 .3081 -.0394 .064 |
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H12 -.0125 .3548 .0740 .064 |
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H21 .3150 .3173 .0865 .028 |
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H22 .3625 .1739 .1228 .108 |
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| Download AMC data (View Text File)
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