Svyatoslavite
Krivovichev S V, Shcherbakova E P, Nishanbaev T P
The Canadian Mineralogist 50 (2012) 585-592
The crystal structure of svyatoslavite and evolution of complexity during
crystallization of a CaAl2Si2O8 melt: A structural automata description
Locality: mine #45 near Kopeysk, Chelyabinsk area, southern Urals, Russia
_database_code_amcsd 0019485
8.220 8.951 4.828 90 90.00 90 P2_1
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .74926 .47314  .8554 .919 .0118  .0071  .0096  .0186  .0000 -.0008 -.0024
Ca2   .7526  .4962   .662 .081  .024  .0079  .0084  .0074  .0008 -.0003  .0003
Al1  .07023 .34176  .3974      .0079  .0056  .0075  .0075 -.0006  .0008 -.0002
Al2  .56514 .13918  .8973      .0069  .0065  .0083  .0076  .0004 -.0002  .0002
Si1  .95079 .15317  .9024      .0074  .0045  .0075  .0070 -.0001 -.0005 -.0010
Si2  .44897 .32920  .3900      .0063  .0062  .0113  .0091  .0016 -.0036 -.0015
O1    .0658  .1826  .1703      .0089  .0066  .0091  .0162 -.0007 -.0039 -.0017
O2    .0295 -.0019  .7630      .0106  .0034  .0321  .0139  .0005  .0016  .0054
O3    .7656  .1396 -.0006      .0165  .0095  .0113  .0111  .0010  .0013  .0007
O4    .9572  .3018  .6939      .0106  .0118  .0091  .0075 -.0018 -.0017  .0022
O5    .5605  .2936  .6601      .0095  .0147  .0094  .0108 -.0002 -.0030  .0028
O6    .5369  .4718  .2226      .0117  .0073  .0256  .0146  .0035 -.0006 -.0097
O7    .2698  .3763  .4783      .0159  .0151  .0084  .0112 -.0033 -.0002 -.0029
O8    .4441  .1773  .1883      .0116  .0071  .0096  .0186  .0000 -.0008 -.0024