#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/16/1001682.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_1001682
_chemical_name_systematic          'Tetragallium germanate - $-alpha'
_chemical_formula_structural       'Ga4 (Ge O8)'
_chemical_formula_sum              'Ga4 Ge O8'
_publ_section_title
;
New gallium germanates with tunnel structures $-alpha Ga4 Ge O8 and Ga4
Ge3 O12
;
loop_
_publ_author_name
  'Kahn, A'
  'Agafonov, V'
  'Michel, D'
  'Perez Y Jorba, M'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    65
_journal_year                      1986
_journal_page_first                377
_journal_page_last                 382
_cell_length_a                     12.169(3)
_cell_length_b                     3.005(1)
_cell_length_c                     9.414(2)
_cell_angle_alpha                  90
_cell_angle_beta                   125.06(2)
_cell_angle_gamma                  90
_cell_volume                       281.8
_cell_formula_units_Z              2
_exptl_crystal_density_meas        5.5(10)
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ge4+   4.000
  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
  Ge1   Ge4+   2 a 0. 0. 0. 1.  0 d
  Ga1   Ga3+   4 i 0.7576(1) 0. 0.3596(1) 1.  0 d
  Ga2   Ga3+   4 i 0.4621(1) 0. 0.2809(1) 1.  0 d
  O1    O2-    4 i 0.1627(5) 0. 0.2183(7) 1.  0 d
  O2    O2-    4 i 0.6446(5) 0. 0.4618(7) 1.  0 d
  O3    O2-    4 i 0.4403(6) 0. 0.0738(7) 1.  0 d
  O4    O2-    4 i 0.8912(6) 0. 0.3064(7) 1.  0 d
_refine_ls_R_factor_all            0.029
_cod_database_code 1001682