#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001352.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_1001352
_chemical_name_systematic          'Distrontium dimanganese pentaoxide'
_chemical_formula_structural       'Sr2 Mn2 O5'
_chemical_formula_sum              'Mn2 O5 Sr2'
_publ_section_title
;
Sr~2~Mn~2~O~5~, an oxygen-defect perovskite with Mn(III) in square
pyramidal coordination
;
loop_
_publ_author_name
  'Caignaert, V'
  'Nguyen, N'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    20
_journal_year                      1985
_journal_page_first                479
_journal_page_last                 484
_cell_length_a                     5.523(1)
_cell_length_b                     10.761(5)
_cell_length_c                     3.811(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       226.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P b a m'
_symmetry_Int_Tables_number        55
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Mn3+   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 h -1. 0.3631(1) 0.5 1.  0 dum
  Mn1   Mn3+   4 g 0.2583(2) 0.1236(1) 0. 1.  0 d
  O1    O2-    4 h 0.2790(1) 0.0912(4) 0.5 1.  0 d
  O2    O2-    4 g 0.5530(6) 0.2259(5) 0. 1.  0 d
  O3    O2-    2 b 0. 0. 0. 1.  0 d
_refine_ls_R_factor_all            0.031