Clintonite-1M
Joswig W, Amthauer G, Takeuchi Y
American Mineralogist 71 (1986) 1194-1197
Neutron-diffraction and Mossbauer spectroscopic study of clintonite
(xanthophyllite)
_database_code_amcsd 0001045
5.2037 9.0126 9.8145 90 100.26 90 C2/m
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       .5     .5      0       .0100  .0077  .0070      0  .0023      0
Mg1       0     .5     .5  .73  .0034  .0037  .0072      0  .0012      0
Al1       0     .5     .5  .22  .0034  .0037  .0072      0  .0012      0
Fe1       0     .5     .5  .05  .0034  .0037  .0072      0  .0012      0
Mg2      .5 .32982     .5  .77  .0048  .0047  .0073      0  .0014      0
Al2      .5 .32982     .5  .23  .0048  .0047  .0073      0  .0014      0
Ti2      .5 .32982     .5 .003  .0048  .0047  .0073      0  .0014      0
Si3  .57049 .16705 .20976 .300  .0061  .0047  .0061 -.0004  .0012  .0001
Al3  .57049 .16705 .20976 .673  .0061  .0047  .0061 -.0004  .0012  .0001
Fe3  .57049 .16705 .20976 .027  .0061  .0047  .0061 -.0004  .0012  .0001
O1   .42771      0 .15161       .0122  .0107  .0105      0  .0005      0
O2   .86158 .18853 .15029       .0113  .0117  .0109 -.0012  .0031 -.0010
O3   .63088 .16856 .38782       .0108  .0093  .0085 -.0001  .0016  .0005
O4   .62827     .5 .39774       .0104  .0135  .0068      0  .0013      0
H     .5966     .5  .3001       .0516  .0607  .0099      0  .0025      0