Fresnoite
Chukanov N V, Kazheva O N, Fischer R X, Aksenov S M
Acta Crystallographica B79 (2023) S2052520622012045
Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Lohley
(Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability
and vibrational spectroscopy of minerals and inorganic compounds with
pentacoordinated TiIV and a titanyl bond
Locality: Lohley, Eifel district, Germany
_database_code_amcsd 0021205
8.5104 8.5104 5.1975 90 90 90 P4bm
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ba   .32715 .82715 .00051 .00865 .00940 .00940 .00715 -.00491 -.00086 -.00086
Ti        0      0 .53608 .00667  .0071  .0071  .0057       0       0       0
Si   .12793 .62793  .5130 .00767  .0087  .0087  .0055   .0013  -.0013  -.0013
O1        0      0  .2106  .0149  .0178  .0178  .0091       0       0       0
O2        0     .5  .6300  .0250   .035   .035  .0056  -.0220       0       0
O3    .1260  .6260  .2067  .0088  .0098  .0098  .0067  -.0013  -.0002  -.0002
O4    .2922  .5761  .6451  .0236  .0142  .0462  .0105   .0150  -.0035  -.0075