American Mineralogist Crystal Structure Database

1 matching records for this search.

Cu3Fe4(VO4)6
 
Lafontaine M, Greneche J, Laligant Y, Ferey G
Journal of Solid State Chemistry 108 (1994) 1-10
beta-Cu3Fe4(VO4)6: Structural study and relationships; physical properties
_cod_database_code 1000346
_database_code_amcsd 0013788
6.600 8.048 9.759 106.08 103.72 102.28 P-1
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      0    .5    .5  .0261  .0120  .0383  .0075  .0226  .0110
Cu2  .7226 .7085 .2093  .0121  .0207  .0354  .0067  .0132  .0156
Fe1  .3805 .9487 .6078  .0057  .0115  .0124  .0023  .0019  .0070
Fe2  .0410 .2035 .0091  .0055   .011  .0139  .0019  .0017  .0064
V1   .8917 .8998 .6644   .004  .0094  .0090  .0009  .0012  .0036
V2   .2208 .6546 .2699  .0048  .0105  .0102  .0030  .0015   .005
V3   .5903 .2681 .1236  .0045  .0093  .0072  .0014  .0006  .0043
O1   .0778 .0591 .1444  .0059  .0132  .0115  .0019 -.0033  .0047
O2   .5611 .1363 .2296  .0114  .0245  .0160 -.0028  .0003  .0039
O3   .1765 .4381 .1833  .0110  .0111  .0269  .0043  .0063  .0035
O4   .9960 .2843 .8319  .0088  .0255  .0127  .0069  .0060  .0036
O5   .2396 .7842 .9721  .0102  .0303  .0284  .0120  .0103   .015
O6   .8715 .9775 .3506  .0101   .010  .0220  .0028  .0047  .0037
O7   .5267 .2340 .7345  .0114  .0291  .0306  .0047  .0152  .0219
O8   .3417 .2373 .9889  .0101  .0166  .0117  .0049  .0017   .006
O9   .3314 .0362 .4267  .0089  .0286  .0180  .0066  .0104  .0146
O10  .2077 .6913 .4518  .0152  .0181  .0187  .0079  .0015  .0015
O11  .6996 .4854 .2432  .0169  .0373  .0408  .0029  .0159  .0172
O12  .1301 .3131 .4202  .0158  .0256  .0162 -.0027  .0060  .0103
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