Epidote
Giuli G, Bonazzi P, Menchetti S
American Mineralogist 84 (1999) 933-936
Al-Fe disorder in synthetic epidotes: A single-crystal X-ray diffraction study
Sample: CC11c
_database_code_amcsd 0002248
8.891 5.624 10.164 90 115.44 90 P2_1/m
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .7574   .75 .1517       .0121  .0112  .0096      0  .0080      0
CaA2 .6047   .75 .4241       .0122  .0183  .0059      0  .0041      0
Si1  .3383   .75 .0467       .0046  .0026  .0100      0  .0035      0
Si2  .6832   .25 .2742       .0069  .0053  .0054      0  .0013      0
Si3  .1834   .75 .3183       .0042  .0047  .0028      0 -.0007      0
Fe1      0     0     0 .08   .0054  .0051  .0056  .0004  .0014  .0011
Al1      0     0     0 .92   .0054  .0051  .0056  .0004  .0014  .0011
Al2      0     0    .5       .0038  .0033  .0069 -.0003  .0030  .0006
Fe3  .2936   .25 .2247 .60   .0035  .0060  .0051      0  .0004      0
Al3  .2936   .25 .2247 .40   .0035  .0060  .0051      0  .0004      0
O1   .2345 .9942 .0416       .0154  .0023  .0086  .0013  .0056  .0025
O2   .3017 .9819 .3535       .0110  .0095  .0097 -.0043  .0053  .0001
O3   .7937 .0128 .3419       .0052  .0080  .0115 -.0020 -.0027 -.0038
O4   .0530   .25 .1298       .0104  .0045  .0114      0  .0090      0
O5   .0418   .75 .1449       .0061  .0091  .0045      0  .0025      0
O6   .0659   .75 .4059       .0118  .0060  .0051      0  .0066      0
O7   .5138   .75 .1807       .0061  .0102  .0100      0 -.0011      0
O8   .5230   .25 .3067       .0294  .0104  .0098      0  .0136      0
O9   .6295   .25 .0996       .0155  .0155  .0150      0  .0067      0
O10  .0796   .25 .4263       .0066  .0118  .0093      0  .0071      0