Paravauxite Gatta G D, Vignola P, Meven M Mineralogical Magazine 78 (2014) 841-850 On the complex H-bonding network in paravauxite, Fe2+Al2(PO4)2(OH)2*8H2O: A single-crystal neutron diffraction study Locality: Siglo Veinte mine, Potosi Department, Bolivia _database_code_amcsd 0020472 5.240 10.567 6.968 106.82 110.77 72.23 P-1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Fe 0 0 0 .921 .0111 .0103 .0065 .0158 -.0006 .0053 .0011 Al1 0 .5 0 1.025 .0060 .0058 .0056 .0054 -.0011 .0011 .0003 Al2 0 .5 .5 1.050 .0085 .0093 .0109 .0051 -.0022 .0025 .0007 P .3434 .6664 .9223 .0057 .0045 .0058 .0056 -.0001 .0009 .0012 OP1 .1654 .6477 .0423 .0081 .0096 .0073 .0087 -.0028 .0045 .0002 OP2 .2941 .5757 .7020 .0085 .0082 .0111 .0050 -.0037 .0011 -.0005 OP3 .2688 .8159 .9067 .0110 .0112 .0059 .0163 .0003 .0056 .0031 OP4 .3413 .3723 .9573 .0073 .0059 .0075 .0068 .0002 .0017 .0009 Oh5 .1401 .5032 .2908 .0087 .0080 .0135 .0051 -.0032 .0021 .0017 Ow6 .2333 .3189 .5436 .0123 .0138 .0113 .0090 .0007 .0035 .0015 Ow7 .2461 .0129 .3215 .0273 .0258 .0297 .0211 -.0071 -.0039 .0101 Ow8 .2225 .1090 .9281 .0234 .0156 .0123 .0459 -.0019 .0122 .0086 Ow9 .2634 .8072 .5059 .0243 .0238 .0301 .0231 -.0018 .0110 .0105 H1 .3422 .4892 .3277 .0231 .0143 .0342 .0219 -.0063 .0044 .0079 H2 .2895 .3278 .6980 .0237 .0256 .0252 .0161 -.0003 .0047 .0056 H3 .4107 .2809 .5064 .0283 .0305 .0274 .0264 .0033 .0157 .0057 H4A .2198 .1025 .4100 .721 .052 H4B .352 .076 .423 .218 .052 H5 .2329 .9503 .3934 .0476 .054 .054 .0372 -.0081 .0096 .0224 H6 .1098 .2010 .9317 .0349 .0341 .0183 .0553 .0005 .0166 .0143 H7 .4144 .1196 -.0127 .0361 .0222 .0317 .0569 -.0051 .0130 .0119 H8 .2524 .8158 .6464 .0417 .0436 .052 .0354 .0009 .0230 .0159 H9A .101 .768 .431 .2074 .051 H9B .1739 .7345 .4165 .81 .051