#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002263.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2002263
_chemical_name_systematic          'Tristrontium tetralanthanum oxide'
_chemical_formula_structural       'Sr3 La4 O9'
_chemical_formula_sum              'La4 O9 Sr3'
_publ_section_title
;
Darstellung und Untersuchung der metastabilen Verbindung Sr3 La4 O9
;
loop_
_publ_author_name
  'Schulze, A R'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    471
_journal_year                      1980
_journal_page_first                59
_journal_page_last                 63
_cell_length_a                     11.657
_cell_length_b                     7.34
_cell_length_c                     13.471
_cell_angle_alpha                  90
_cell_angle_beta                   115.6
_cell_angle_gamma                  90
_cell_volume                       1039.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 c 1'
_symmetry_Int_Tables_number        9
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  La3+   3.000
  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 0.7958 0.0847 0. 0.4286  0 d
  La1   La3+   4 a 0.7958 0.0847 0. 0.5714  0 d
  Sr2   Sr2+   4 a 0.62 0.8071 0.2218 0.4286  0 d
  La2   La3+   4 a 0.62 0.8071 0.2218 0.5714  0 d
  Sr3   Sr2+   4 a 0.8757 0.1387 0.2892 0.4286  0 d
  La3   La3+   4 a 0.8757 0.1387 0.2892 0.5714  0 d
  Sr4   Sr2+   4 a 0.8806 0.3357 0.6693 0.4286  0 d
  La4   La3+   4 a 0.8806 0.3357 0.6693 0.5714  0 d
  Sr5   Sr2+   4 a 0.6709 0.6115 0.8802 0.4286  0 d
  La5   La3+   4 a 0.6709 0.6115 0.8802 0.5714  0 d
  Sr6   Sr2+   4 a 0.1041 0.8747 0.0847 0.4286  0 d
  La6   La3+   4 a 0.1041 0.8747 0.0847 0.5714  0 d
  Sr7   Sr2+   4 a 0.9827 0.4429 0.9476 0.4286  0 d
  La7   La3+   4 a 0.9827 0.4429 0.9476 0.5714  0 d
  O1    O2-    4 a 0.145 0.184 0.052 1.  0 d
  O2    O2-    4 a 0.397 0.126 0.585 1.  0 d
  O3    O2-    4 a 0.352 0.336 0.347 1.  0 d
  O4    O2-    4 a 0.104 0.196 0.407 1.  0 d
  O5    O2-    4 a 0.187 0.572 0.13 1.  0 d
  O6    O2-    4 a 0.288 0.95 0.269 1.  0 d
  O7    O2-    4 a 0.099 0.585 0.331 1.  0 d
  O8    O2-    4 a 0.494 0.488 0.196 1.  0 d
  O9    O2-    4 a 0.882 0.239 0.483 1.  0 d
_refine_ls_R_factor_all            0.067
_cod_database_code 2002263
_journal_paper_doi 10.1002/zaac.19804710106