data_global
_amcsd_formula_title 'Ba Ge3.125 O9 Si0.875'
loop_
_publ_author_name
'Goreaud M'
'Choisnet J'
'Deschanvres A'
'Raveau B'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 8 
_journal_year 1973
_journal_page_first 1205
_journal_page_last 1214
_publ_section_title
;
 Synthese et Evolution Structurale de Nouveaux Silicogermanates
 BaGe(Ge3-xSix)O9 de Type Benitoite et de Structure Apparentee
 _cod_database_code 1001066
;
_database_code_amcsd 0014237
_chemical_formula_sum 'Ba Si.875 Ge3.125 O9'
_cell_length_a 11.595
_cell_length_b 11.595
_cell_length_c 9.755
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1135.794
_exptl_crystal_density_diffrn      4.674
_symmetry_space_group_name_H-M 'P 3 1 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,-y,1/2+z'
  '-y,x-y,z'
  'y,x,1/2+z'
  '-x+y,-x,z'
  '-x,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.33333   0.33333   0.00000   1.00000
Si1   0.14750   0.49630   0.27280   0.29170
Si2   0.04050   0.20980   0.22820   0.29170
Si3   0.81920   0.27680   0.25600   0.29170
Ge1   0.00000   0.00000   0.00000   1.00000
Ge2   0.33333   0.66667   0.00000   1.00000
Ge3   0.33333   0.66667   0.50000   1.00000
Ge4   0.14750   0.49630   0.27280   0.70830
Ge5   0.04050   0.20980   0.22820   0.70830
Ge6   0.81920   0.27680   0.25600   0.70830
O1   0.17410   0.36800   0.24000   1.00000
O2   0.86320   0.16420   0.25000   1.00000
O3   0.97250   0.42030   0.21760   1.00000
O4   0.20000   0.60580   0.12400   1.00000
O5   0.17600   0.59950   0.40840   1.00000
O6   0.75200   0.26070   0.10300   1.00000
O7   0.69250   0.20970   0.39400   1.00000
O8   0.07470   0.15070   0.09460   1.00000
O9   0.09470   0.17070   0.39220   1.00000