data_2002211
_chemical_name_systematic          'Calcium gallium aluminium oxide'
_chemical_formula_structural       'Ca Ga Al O4'
_chemical_formula_sum              'Al Ca Ga O4'
_publ_section_title
;
Ueber Erdalkalimetalloxogallate. VI. Zum Problem der
Mischkristallbildung zwischen Ca Ga2 O4 und Ca Al2
O4
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Schmachtel, W'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_volume                    31
_journal_year                      1976
_journal_page_first                1604
_journal_page_last                 1606
_cell_length_a                     10.424
_cell_length_b                     8.718
_cell_length_c                     7.986
_cell_angle_alpha                  90
_cell_angle_beta                   94.77
_cell_angle_gamma                  90
_cell_volume                       723.2
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Al3+   3.000
  Ga3+   3.000
  Ca2+   2.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Al1   Al3+   4 e 0.29 0.39 0.117 0.5  0 d
  Al2   Al3+   4 e 0.696 0.404 0.11 0.5  0 d
  Al3   Al3+   4 e 0.822 0.555 0.361 0.5  0 d
  Al4   Al3+   4 e 0.229 0.559 0.369 0.5  0 d
  Ga1   Ga3+   4 e 0.29 0.39 0.117 0.5  0 d
  Ga2   Ga3+   4 e 0.696 0.404 0.11 0.5  0 d
  Ga3   Ga3+   4 e 0.822 0.555 0.361 0.5  0 d
  Ga4   Ga3+   4 e 0.229 0.559 0.369 0.5  0 d
  Ca1   Ca2+   4 e 0.535 0.239 0.353 1.  0 d
  Ca2   Ca2+   4 e 0.001 0.214 0.371 1.  0 d
  O1    O2-    4 e 0.358 0.435 0.282 1.  0 d
  O2    O2-    4 e 0.728 0.419 0.461 1.  0 d
  O3    O2-    4 e 0.143 0.242 0.071 1.  0 d
  O4    O2-    4 e 0.487 0.339 0.058 1.  0 d
  O5    O2-    4 e 0.211 0.566 0.041 1.  0 d
  O6    O2-    4 e 0.716 0.58 0.201 1.  0 d
  O7    O2-    4 e 0.768 0.244 0.21 1.  0 d
  O8    O2-    4 e 0.024 0.481 0.326 1.  0 d
_refine_ls_R_factor_all            0.064