Rengeite
Miyawaki R, Matsubara S, Miyajima H
Journal of Mineralogical and Petrological Sciences 97 (2002) 7-12
The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8
Locality: Itoigawa, Niigata Prefecture, Japan
Sample: C2/m refinement
_database_code_amcsd 0013129
13.9830 5.6722 11.9960 90 114.215 90 C2/m
atom      x     y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1  .76861     0 .73673 .946 .00919  .0078  .0101  .0099      0  .0383      0
Ce1  .76861     0 .73673 .054 .00919  .0078  .0101  .0099      0  .0383      0
Sr2  .54661    .5 .74203 .977 .00967  .0077  .0120  .0095      0  .0366      0
Ce2  .54661    .5 .74203 .023 .00967  .0077  .0120  .0095      0  .0366      0
Zr3       0    .5     .5      .00604  .0058  .0055  .0073      0  .0030      0
Ti4      .5 .7420      0  .95  .0080  .0095  .0078  .0060      0  .0024      0
Al4      .5 .7420      0  .05  .0080  .0095  .0078  .0060      0  .0024      0
Ti5  .27341     0 .00144  .89  .0079  .0084  .0068  .0087      0  .0036      0
Fe5  .27341     0 .00144  .11  .0079  .0084  .0068  .0087      0  .0036      0
Si1  .40778     0 .73618       .0071  .0061  .0072  .0086      0  .0036      0
Si2  .83743     0 .45121       .0069  .0056  .0053  .0091      0  .0023      0
O1    .0655 .2635  .1793       .0089  .0119  .0068  .0063 -.0011  .0019  .0004
O2    .2095 .2499  .8827       .0085  .0104  .0080  .0061 -.0015  .0025 -.0017
O3    .3886 .7344  .4143       .0109  .0112  .0089  .0120 -.0045  .0042      0
O4    .0923     0  .9974       .0093  .0104  .0060  .0119      0  .0050      0
O5    .4059     0  .0024       .0078  .0080  .0068  .0102      0  .0053      0
O6    .4770     0  .6576       .0122  .0106  .0170  .0119      0  .0076      0
O7    .2835     0  .6534       .0135  .0057  .0150  .0150      0 -.0004      0
O8    .1474     0  .4119       .0108  .0122  .0118  .0080      0  .0037      0