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Paravauxite |
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Gatta G D, Vignola P, Meven M |
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Mineralogical Magazine 78 (2014) 841-850 |
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On the complex H-bonding network in paravauxite, Fe2+Al2(PO4)2(OH)2*8H2O: |
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A single-crystal neutron diffraction study |
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Locality: Siglo Veinte mine, Potosi Department, Bolivia |
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_database_code_amcsd 0020472 |
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5.240 10.567 6.968 106.82 110.77 72.23 P-1 |
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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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Fe 0 0 0 .921 .0111 .0103 .0065 .0158 -.0006 .0053 .0011 |
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Al1 0 .5 0 1.025 .0060 .0058 .0056 .0054 -.0011 .0011 .0003 |
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Al2 0 .5 .5 1.050 .0085 .0093 .0109 .0051 -.0022 .0025 .0007 |
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P .3434 .6664 .9223 .0057 .0045 .0058 .0056 -.0001 .0009 .0012 |
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OP1 .1654 .6477 .0423 .0081 .0096 .0073 .0087 -.0028 .0045 .0002 |
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OP2 .2941 .5757 .7020 .0085 .0082 .0111 .0050 -.0037 .0011 -.0005 |
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OP3 .2688 .8159 .9067 .0110 .0112 .0059 .0163 .0003 .0056 .0031 |
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OP4 .3413 .3723 .9573 .0073 .0059 .0075 .0068 .0002 .0017 .0009 |
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Oh5 .1401 .5032 .2908 .0087 .0080 .0135 .0051 -.0032 .0021 .0017 |
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Ow6 .2333 .3189 .5436 .0123 .0138 .0113 .0090 .0007 .0035 .0015 |
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Ow7 .2461 .0129 .3215 .0273 .0258 .0297 .0211 -.0071 -.0039 .0101 |
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Ow8 .2225 .1090 .9281 .0234 .0156 .0123 .0459 -.0019 .0122 .0086 |
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Ow9 .2634 .8072 .5059 .0243 .0238 .0301 .0231 -.0018 .0110 .0105 |
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H1 .3422 .4892 .3277 .0231 .0143 .0342 .0219 -.0063 .0044 .0079 |
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H2 .2895 .3278 .6980 .0237 .0256 .0252 .0161 -.0003 .0047 .0056 |
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H3 .4107 .2809 .5064 .0283 .0305 .0274 .0264 .0033 .0157 .0057 |
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H4A .2198 .1025 .4100 .721 .052 |
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H4B .352 .076 .423 .218 .052 |
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H5 .2329 .9503 .3934 .0476 .054 .054 .0372 -.0081 .0096 .0224 |
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H6 .1098 .2010 .9317 .0349 .0341 .0183 .0553 .0005 .0166 .0143 |
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H7 .4144 .1196 -.0127 .0361 .0222 .0317 .0569 -.0051 .0130 .0119 |
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H8 .2524 .8158 .6464 .0417 .0436 .052 .0354 .0009 .0230 .0159 |
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H9A .101 .768 .431 .2074 .051 |
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H9B .1739 .7345 .4165 .81 .051 |
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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 (permalink)
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Paravauxite |
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Baur W H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1969 (1969) 430-433 |
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The crystal structure of paravauxite, Fe2+Al2(PO4)2(OH)2(OH2)6*2H2O |
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_database_code_amcsd 0014737 |
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5.233 10.541 6.962 106.9 110.8 72.1 P-1 |
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atom x y z Biso |
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Fe 0 0 0 1.1 |
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Al1 0 .5 0 .6 |
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Al2 0 .5 .5 .6 |
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P .3431 .6665 .9224 .6 |
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Op1 .1639 .6481 .0420 .8 |
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Op2 .2935 .5759 .7002 .9 |
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Op3 .2691 .8167 .9069 1.2 |
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Op4 .3405 .3720 .9567 .8 |
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Oh5 .1398 .5034 .2912 .9 |
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Ow6 .2333 .3189 .5437 1.1 |
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Ow7 .2474 .0124 .3195 2.2 |
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Ow8 .2225 .1085 .9283 2.3 |
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Ow9 .2640 .8072 .5050 2.1 |
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H1 .31 .50 .30 3.0 |
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H2 .27 .30 .68 3.0 |
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H3 .41 .30 .52 3.0 |
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H4 .25 .08 .39 3.0 |
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H5 .25 .93 .37 3.0 |
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H6 .17 .16 .95 3.0 |
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H7 .36 .14 .03 3.0 |
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H8 .30 .75 .64 3.0 |
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H9 .16 .74 .46 3.0 |
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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 (permalink)
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