data_global
_amcsd_formula_title 'Ca.9Sr.1TiOGeO4'
loop_
_publ_author_name
'Ellemann-Olesen R'
'Malcherek T'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 32 
_journal_year 2005
_journal_page_first 531
_journal_page_last 545
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr10
;
_database_code_amcsd 0008997
_chemical_formula_sum 'Sr.096 Ca.903 Ti Ge O5'
_cell_length_a 7.1580
_cell_length_b 8.9075
_cell_length_c 6.6630
_cell_angle_alpha 90
_cell_angle_beta 113.766
_cell_angle_gamma 90
_cell_volume 388.806
_exptl_crystal_density_diffrn      4.187
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sr   0.23910   0.42060   0.25060   0.09600   0.01200
Ca   0.23910   0.42060   0.25060   0.90300   0.01200
Ti   0.51480   0.25800   0.74970   1.00000   0.01400
Ge   0.74990   0.43400   0.24620   1.00000   0.01900
O1   0.74400   0.31050   0.73550   1.00000   0.01500
O2A   0.90860   0.30410   0.43510   1.00000   0.01500
O2B   0.06850   0.18930   0.05580   1.00000   0.01500
O3A   0.38420   0.46310   0.64200   1.00000   0.01500
O3B   0.60150   0.04580   0.85360   1.00000   0.01500