data_2002485
_chemical_name_systematic          'Strontium dialuminium pentaoxide dichloride'
_chemical_formula_structural       'Sr3 Al2 O5 Cl2'
_chemical_formula_sum              'Al2 Cl2 O5 Sr3'
_publ_section_title
;
Sr3 Al2 O3 Cl2, ein Oxohalogenoaluminat mit Ba3 Fe2 O5 Cl2 - Struktur
;
loop_
_publ_author_name
  'Leib, W'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Revue de Chimie Minerale'
_journal_volume                    23
_journal_year                      1986
_journal_page_first                760
_journal_page_last                 765
_cell_length_a                     9.4220(8)
_cell_length_b                     9.4220(8)
_cell_length_c                     9.4220(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       836.4
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.72
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_Int_Tables_number        19
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Al3+   3.000
  Cl1-  -1.000
  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
  Sr1   Sr2+   4 a 0.4114(2) 0.9877(2) 0.2594(2) 1.  0 d
  Sr2   Sr2+   4 a 0.2408(3) 0.4113(2) 0.0038(3) 1.  0 d
  Sr3   Sr2+   4 a 0.0080(3) 0.2549(3) 0.4112(2) 1.  0 d
  Al1   Al3+   4 a 0.0933(9) 0.0981(8) 0.0957(8) 1.  0 d
  Al2   Al3+   4 a 0.6001(8) 0.5954(7) 0.5988(7) 1.  0 d
  Cl1   Cl1-   4 a 0.3158(8) 0.2964(8) 0.3033(8) 1.  0 d
  Cl2   Cl1-   4 a 0.7969(8) 0.8162(8) 0.8104(8) 1.  0 d
  O1    O2-    4 a 0.982(2) 0.996(2) 0.007(2) 1.  0 d
  O2    O2-    4 a 0.497(2) 0.483(2) 0.482(2) 1.  0 d
  O3    O2-    4 a 0.144(2) 0.999(2) 0.251(3) 1.  0 d
  O4    O2-    4 a 0.242(2) 0.144(1) 0.982(2) 1.  0 d
  O5    O2-    4 a 0.998(2) 0.250(3) 0.144(2) 1.  0 d
_refine_ls_R_factor_all            0.088