data_global
_amcsd_formula_title 'SrGa2Si2O8'
loop_
_publ_author_name
'Phillips M W'
'Kroll H'
'Pentinghaus H'
'Ribbe P H'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 659
_journal_page_last 666
_publ_section_title
;
 The structures of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8
;
_database_code_amcsd 467
_chemical_formula_sum 'Sr Ga2.003 Si1.997 O8'
_cell_length_a 9.0009
_cell_length_b 9.484
_cell_length_c 8.3987
_cell_angle_alpha 90.0
_cell_angle_beta 90.682
_cell_angle_gamma 90.0
_cell_volume 716.9
_exptl_crystal_density_diffrn  3.811
_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
Sr   0.8893  0.4131  0.2515  1.0
Ga1   0.2284  0.9257  0.9302  0.996
Si1   0.2284  0.9257  0.9302  0.004
Si2   0.2434  0.9185  0.5596  0.984
Ga2   0.2434  0.9185  0.5596  0.016
Si3   0.0611  0.2017  0.9463  1.0
Ga4   0.053  0.191  0.5732  0.991
Si4   0.053  0.191  0.5732  0.009
O1   0.193  0.098  0.015  1.0
O2   0.1899  0.0692  0.4894  1.0
O3   0.1188  0.3651  0.9397  1.0
O4   0.123  0.3718  0.5594  1.0
O5   0.9268  0.1961  0.0734  1.0
O6   0.893  0.1941  0.4365  1.0
O7   0.0016  0.1449  0.7742  1.0
O8   0.3184  0.9256  0.7367  1.0
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sr   0.0119  0.00684  0.0075  0.00043  -0.00038  -0.0004
Ga1   0.00698  0.00592  0.00607  0.0  -0.00038  -0.00081
Si1   0.00698  0.00592  0.00607  0.0  -0.00038  -0.00081
Si2   0.00616  0.00547  0.00536  0.00043  0.00038  0.0
Ga2   0.00616  0.00547  0.00536  0.00043  0.00038  0.0
Si3   0.00533  0.00501  0.00464  -0.00086  0.0  -0.00081
Ga4   0.0078  0.00456  0.005  0.0  0.0  0.00081
Si4   0.0078  0.00456  0.005  0.0  0.0  0.00081
O1   0.00985  0.00547  0.00965  0.00173  -0.00191  -0.00121
O2   0.01272  0.00592  0.01072  0.00259  0.00153  0.00202
O3   0.01231  0.00547  0.01108  -0.00389  -0.00038  0.00202
O4   0.01067  0.00684  0.01179  -0.00519  0.00345  0.0004
O5   0.00533  0.01094  0.00929  -0.00173  0.00306  -0.00363
O6   0.00821  0.0082  0.01  -0.00173  -0.00115  0.00282
O7   0.0197  0.01139  0.00643  -0.00649  0.0  -0.0004
O8   0.00985  0.01504  0.00464  -0.00216  0.0023  0.0