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: P2_1/a refinement
_database_code_amcsd 0013130
13.9830 5.6722 11.9960 90 114.215 90 P2_1/a
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  .76860  .0003 .73673 .945 .00926  .0079  .0102  .0099  .0026  .0392  .0015
Ce1  .76860  .0003 .73673 .055 .00926  .0079  .0102  .0099  .0026  .0392  .0015
Sr2  .54661  .5002 .74201 .976 .00972  .0077  .0120  .0095  .0025  .0363 -.0002
Ce2  .54661  .5002 .74201 .024 .00972  .0077  .0120  .0095  .0025  .0363 -.0002
Zr3       0     .5     .5      .00608  .0058  .0055  .0073  .0010  .0031  .0015
Ti4   .5000 .74198  .9998 .950  .0082  .0097  .0082  .0060 -.0052  .0025 -.0016
Al4   .5000 .74198  .9998 .050  .0082  .0097  .0082  .0060 -.0052  .0025 -.0016
Ti5  .27342  .0000 .00145  .90  .0079  .0083  .0069  .0086  .0003  .0035 -.0019
Fe5  .27342  .0000 .00145  .10  .0079  .0083  .0069  .0086  .0003  .0035 -.0019
Si1  .40775  .9985 .73610       .0075  .0062  .0078  .0093  .0020  .0040  .0080
Si2  .83743  .0007 .45119       .0069  .0057  .0055  .0090  .0010  .0022 -.0030
O1    .0699  .7383  .1783       .0057
O2    .0605  .2655  .1803       .0087
O3    .2086   .754  .8828        .012
O4    .2100   .253  .8826        .005
O5    .3886   .736  .4137        .006
O6    .3885   .267  .4150        .017
O7    .0924   .001  .9975       .0094
O8    .4059   .001  .0024       .0079
O9    .4771   .992  .6575       .0113
O10   .2835   .005  .6534       .0124
O11   .1474   .000  .4117       .0109