Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

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CIF Text:


data_global
_amcsd_formula_title 'SrGa2Ge2O8'
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 structure of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8
;
_database_code_amcsd 468
_chemical_formula_sum 'Sr Ga2 Ge2 O8'
_cell_length_a 9.2056
_cell_length_b 9.6602
_cell_length_c 8.5834
_cell_angle_alpha 90.0
_cell_angle_beta 90.432
_cell_angle_gamma 90.0
_cell_volume 763.282
_exptl_crystal_density_diffrn  4.353
_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
Sr   0.8857  0.4125  0.2499
Ga1   0.2359  0.9242  0.9329
Ge1   0.2425  0.9206  0.5622
Ge2   0.0565  0.1992  0.9408
Ga2   0.0529  0.1945  0.5685
O1   0.1926  0.0911  0.0179
O2   0.1905  0.0784  0.4833
O3   0.1162  0.3719  0.934
O4   0.1182  0.3729  0.5658
O5   0.9134  0.197  0.0737
O6   0.9007  0.1972  0.4315
O7   0.0017  0.1363  0.7605
O8   0.3282  0.925  0.745
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   0.01417  0.00709  0.00672  0.00045  0.0  0.0
Ga1   0.00859  0.00615  0.00411  0.00045  0.0  -0.00042
Ge1   0.00773  0.0052  0.00373  0.0009  0.0  0.0
Ge2   0.00816  0.00425  0.00336  0.0  0.0  0.0
Ga2   0.00859  0.00473  0.00373  0.00045  0.0004  0.0
O1   0.00987  0.00709  0.01082  0.00225  -0.0024  -0.00084
O2   0.0146  0.00425  0.00896  0.00541  0.0016  0.00294
O3   0.01159  0.00189  0.01045  -0.00225  -0.002  0.00294
O4   0.01631  0.00804  0.00746  -0.00225  0.0036  0.00084
O5   0.00472  0.00993  0.01194  -0.0018  0.0004  -0.00294
O6   0.00944  0.00804  0.00933  -0.00586  -0.004  0.00294
O7   0.02447  0.01513  0.00373  -0.00946  0.0  0.00084
O8   0.01116  0.02269  0.00784  -0.0009  -0.0012  0.00504