#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002208.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_2002208
_chemical_name_systematic          'Dicalcium iron(III) gallium oxide'
_chemical_formula_structural       'Ca2 Fe Ga O5'
_chemical_formula_sum              'Ca2 Fe Ga O5'
_publ_section_title
;
Zur Kenntnis von Ca2 Fe Ga O5, ein Beitrag zur Kristallchemie von
(M2+)2 (Me3+)2 O5 -Verbindungen
;
loop_
_publ_author_name
  'Arpe, R'
  'Schenck, R von'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    410
_journal_year                      1974
_journal_page_first                97
_journal_page_last                 103
_cell_length_a                     5.603
_cell_length_b                     14.691
_cell_length_c                     5.386
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       443.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P c m n'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  'x,1/2-y,z'
  '1/2-x,y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Fe3+   3.000
  Ga3+   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
  Ca1   Ca2+   8 d 0.0255 0.1083 0.4839 1.  0 d
  Fe1   Fe3+   4 a 0. 0. 0. 1.  0 d
  Ga1   Ga3+   4 c 0.9311 0.25 0.9501 1.  0 d
  O1    O2-    8 d 0.241 0.985 0.259 1.  0 d
  O2    O2-    8 d 0.071 0.142 0.025 1.  0 d
  O3    O2-    4 c 0.873 0.25 0.605 1.  0 d
_refine_ls_R_factor_all            0.055
_cod_database_code 2002208
_journal_paper_doi 10.1002/zaac.19744100202