Fe6.5 O35 V11.5
Grey I, Anne M, Collomb A, Muller J, Marezio M
Journal of Solid State Chemistry 37 (1981) 219-227
The Crystal Structure of a New Mixed Oxide of Iron and Vanadium, (FeV)18O35
_cod_database_code 1008121
_database_code_amcsd 0016063
10.209 9.387 6.564 100.52 94.35 98.85 P-1
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .38198 .00505 .34189  .8  .0065  .0066  .0064  .0011  .0002  .0011
V1   .38198 .00505 .34189  .2  .0065  .0066  .0064  .0011  .0002  .0011
Fe2  .41738 .30556 .20229  .8  .0113  .0062  .0058  .0006  .0000  .0016
V2   .41738 .30556 .20229  .2  .0113  .0062  .0058  .0006  .0000  .0016
V3   .70031 .00284 .16619      .0060  .0065  .0056  .0011  .0009  .0006
V4   .50781 .68489 .29032      .0063  .0061  .0055  .0020  .0010  .0010
V5   .10557 .30164 .38373      .0069  .0059  .0048  .0013  .0010  .0005
Fe3  .01298 .93745 .25177  .5  .0091  .0106  .0541  .0025  .0000 -.0082
V6   .01298 .93745 .25177  .5  .0091  .0106  .0541  .0025  .0000 -.0082
Fe4  .81805 .64649 .09079  .8 .00740  .0082  .0072  .0011  .0005  .0018
V7   .81805 .64649 .09079  .2  .0074  .0082  .0072  .0011  .0005  .0018
Fe5  .78192 .37963 .27240 .35  .0143  .0044  .0050  .0014  .0013  .0006
V8   .78192 .37963 .27240 .65  .0141  .0044  .0050  .0014  .0013  .0006
V9   .18551 .71694 .21951      .0067  .0063  .0061  .0015  .0011  .0014
O1        0      0      0     .01640  .0129  .0108  .0014  .0016  .0057
O2    .4315  .5232  .3132      .0126  .0093  .0134  .0024  .0029  .0010
O3    .0024  .7301  .1513      .0068  .0075  .0107  .0009  .0005 -.0012
O4    .6064  .3418  .2416      .0205  .0156  .0193  .0092  .0090  .0064
O5    .9879  .3871  .3109      .0102  .0104  .0107  .0037  .0008  .0013
O6    .8084  .5950  .3788      .0115  .0074  .0061  .0010  .0008 -.0008
O7    .4046  .2252  .4674      .0120  .0073  .0104  .0036  .0006  .0024
O8    .1927  .6512  .4332      .0144  .0119  .0092   .002  .0015  .0027
O9    .3860  .0807  .0776      .0115  .0088  .0092  .0007  .0007  .0020
O10   .3840  .7852  .2255      .0082  .0065  .0097  .0007  .0003  .0003
O11   .1923  .5625  .9919      .0102   .007  .0078  .0019  .0013  .0014
O12   .7808  .1679  .1474      .0114  .0076  .0150  .0002  .0031  .0002
O13   .1974  .9274  .3016      .0059  .0074  .0130  .0002 -.0005  .0002
O14   .0327  .1318  .4300      .0116  .0084  .0087  .0010  .0016  .0002
O15   .8128  .8962  .2263      .0091  .0125  .0125  .0028  .0000  .0049
O16   .6127  .6631  .0936      .0103  .0126  .0064  .0022  .0016  .0023
O17   .5875  .0171  .3575      .0081  .0114  .0078  .0010  .0009  .0028
O18   .2113  .2951  .1843      .0094  .0131  .0064  .0043  .0002  .0018