#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001675.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_1001675
_chemical_name_systematic          'Iron(III) trigermanate'
_chemical_formula_structural       'Fe8 Ge3 O18'
_chemical_formula_sum              'Fe8 Ge3 O18'
_publ_section_title
;
Structural investigation of a new iron germanate Fe8 Ge3 O18
;
loop_
_publ_author_name
  'Agafonov, V'
  'Kahn, A'
  'Michel, D'
  'Perez=y=Jorba, M'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    62
_journal_year                      1986
_journal_page_first                397
_journal_page_last                 401
_cell_length_a                     8.754(2)
_cell_length_b                     5.110(1)
_cell_length_c                     14.280(3)
_cell_angle_alpha                  90
_cell_angle_beta                   101.80(2)
_cell_angle_gamma                  90
_cell_volume                       625.3
_cell_formula_units_Z              2
_exptl_crystal_density_meas        5
_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
  Fe3+   3.000
  Ge4+   4.000
  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
  Fe1   Fe3+   2 a 0. 0. 0. 1.  0 d
  Fe2   Fe3+   4 e 0.5388(1) 0.1878(2) 0.1801(1) 0.68  0 d
  Ge1   Ge4+   4 e 0.5388(1) 0.1878(2) 0.1801(1) 0.32  0 d
  Fe3   Fe3+   4 e 0.9134(2) 0.1841(3) 0.1824(1) 0.82  0 d
  Ge2   Ge4+   4 e 0.9134(2) 0.1841(3) 0.1824(1) 0.18  0 d
  Fe4   Fe3+   4 e 0.3370(2) -0.0614(3) 0.0024(1) 1.  0 d
  Fe5   Fe3+   4 e 0.2793(2) 0.1678(3) 0.3393(1) 1.  0 d
  Ge3   Ge4+   4 e 0.7900(1) -0.0252(2) 0.3791(1) 1.  0 d
  O1    O2-    4 e 0.1912(8) -0.2119(14) 0.0728(5) 1.  0 d
  O2    O2-    4 e 0.3558(8) 0.2882(14) 0.0846(5) 1.  0 d
  O3    O2-    4 e 0.0378(8) 0.2982(14) 0.0885(5) 1.  0 d
  O4    O2-    4 e 0.5401(8) -0.1101(15) 0.0880(5) 1.  0 d
  O5    O2-    4 e 0.6931(9) 0.3280(14) 0.1007(5) 1.  0 d
  O6    O2-    4 e 0.8484(8) -0.1006(15) 0.0842(6) 1.  0 d
  O7    O2-    4 e 0.0843(8) 0.0214(14) 0.2637(5) 1.  0 d
  O8    O2-    4 e 0.2523(8) 0.5086(14) 0.2489(5) 1.  0 d
  O9    O2-    4 e 0.4267(8) 0.0191(14) 0.2618(5) 1.  0 d
_refine_ls_R_factor_all            0.039