#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007030.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_1007030
_chemical_name_systematic          'Silver dichromate'
_chemical_formula_structural       'Ag2 Cr2 O7'
_chemical_formula_sum              'Ag2 Cr2 O7'
_publ_section_title
;
Structure du dichromate d'argent: Ag~2~ Cr~2~ O~7~
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    34
_journal_year                      1978
_journal_page_first                3335
_journal_page_last                 3337
_cell_length_a                     6.968(5)
_cell_length_b                     7.148(5)
_cell_length_c                     6.544(5)
_cell_angle_alpha                  110.82(3)
_cell_angle_beta                   96.11(3)
_cell_angle_gamma                  91.05(3)
_cell_volume                       302.4
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.74
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  Cr6+   6.000
  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
  Ag1   Ag1+   2 i 0.15444(3) 0.18515(3) 0.75394(4) 1.  0 d
  Ag2   Ag1+   2 i 0.63570(3) 0.45340(3) 0.73456(4) 1.  0 d
  Cr1   Cr6+   2 i 0.33748(5) 0.01729(6) 0.23988(6) 1.  0 d
  Cr2   Cr6+   2 i 0.84542(6) 0.31093(6) 0.20193(7) 1.  0 d
  O1    O2-    2 i 0.7464(3) 0.0602(3) 0.0467(3) 1.  0 d
  O2    O2-    2 i 0.4322(3) 0.2465(3) 0.3297(4) 1.  0 d
  O3    O2-    2 i 0.4961(3) 0.8581(3) 0.2655(4) 1.  0 d
  O4    O2-    2 i 0.1520(3) -0.0005(4) 0.3649(4) 1.  0 d
  O5    O2-    2 i 0.7003(3) 0.4747(3) 0.1529(4) 1.  0 d
  O6    O2-    2 i 0.0541(3) 0.3343(3) 0.1170(4) 1.  0 d
  O7    O2-    2 i 0.8680(4) 0.3311(3) 0.4565(4) 1.  0 d
_refine_ls_R_factor_all            0.037