#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002678.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_2002678
_chemical_name_systematic          'Silver cadmium vanadate'
_chemical_formula_structural       'Ag Cd (V O4)'
_chemical_formula_sum              'Ag Cd O4 V'
_publ_section_title
;
Zur Kristallchemie eines Silber-Cadmium-Oxovanadats: Ag Cd V O4
;
loop_
_publ_author_name
  'Muenchau, S'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    50
_journal_year                      1995
_journal_page_first                703
_journal_page_last                 706
_cell_length_a                     9.7859(12)
_cell_length_b                     6.9939(10)
_cell_length_c                     5.4391(10)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       372.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_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
  Ag1+   1.000
  V5+    5.000
  Cd2+   2.000
  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+   4 c 0.35028(2) 0.25 0.00582(5) 1.  0 d
  V1    V5+    4 c 0.67921(4) 0.25 0.01201(10) 1.  0 d
  Cd1   Cd2+   4 a 0.5 0.5 0.5 1.  0 d
  O1    O2-    4 c 0.8590(2) 0.25 0.0548(4) 1.  0 d
  O2    O2-    4 c 0.6267(2) 0.25 -0.2922(4) 1.  0 d
  O3    O2-    8 d 0.6172(2) 0.4425(3) 0.1569(3) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Ag1   0.01891(8) 0. -0.00239(12) 0.02106(11) 0. 0.01164(9)
  V1    0.00154(11) 0. -0.0004(2) 0.0081(2) 0. 0.0030(2)
  Cd1   0.00768(6) -0.00215(6) 0.00262(11) 0.01204(8) -0.00148(9) 0.00998(8)
_refine_ls_R_factor_all            0.042
_cod_database_code 2002678