#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002150.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_2002150
_chemical_name_systematic          'Disilver strontium manganese bis(vanadate)'
_chemical_formula_structural       'Ag2 Sr Mn (V O4)2'
_chemical_formula_sum              'Ag2 Mn O8 Sr V2'
_publ_section_title
;
Ag+ als Substituent eines Alkalimetalls in Ag2 Sr Mn V2 O8
;
loop_
_publ_author_name
  'Rettich, R'
  'Mueller-Buschbaum, H'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    53
_journal_year                      1998
_journal_page_first                279
_journal_page_last                 282
_cell_length_a                     9.7022(9)
_cell_length_b                     5.5882(5)
_cell_length_c                     13.8941(10)
_cell_angle_alpha                  90
_cell_angle_beta                   90.408(8)
_cell_angle_gamma                  90
_cell_volume                       753.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  Sr2+   2.000
  Mn2+   2.000
  V5+    5.000
  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+   8 f 0.83609(6) 0.54469(10) 0.40558(4) 1.  0 d
  Sr1   Sr2+   4 e 0. 0.0712(2) 0.25 1.  0 d
  Mn1   Mn2+   4 a 0. 0. 0.5 1.  0 d
  V1    V5+    8 f 0.32716(9) 0.0358(2) 0.12967(7) 1.  0 d
  O1    O2-    8 f 0.1099(5) 0.3016(9) 0.4362(4) 1.  0 d
  O2    O2-    8 f 0.3311(7) 0.9475(10) 0.2454(4) 1.  0 d
  O3    O2-    8 f 0.1592(5) 0.0901(10) 0.0955(4) 1.  0 d
  O4    O2-    8 f 0.4274(5) 0.2869(9) 0.1156(4) 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   0.0294(3) -0.0019(2) 0.0001(2) 0.0248(3) -0.0059(2) 0.0258(3)
  Sr1   0.0389(5) 0. 0.0048(3) 0.0182(4) 0. 0.0100(3)
  Mn1   0.0149(5) 0.0004(4) -0.0004(4) 0.0155(6) -0.0010(5) 0.0152(5)
  V1    0.0138(4) -0.0002(3) 0.0001(3) 0.0111(4) 0.0007(3) 0.0128(4)
  O1    0.024(2) -0.006(2) 0.002(2) 0.021(2) 0.007(2) 0.031(3)
  O2    0.080(5) -0.004(3) -0.005(3) 0.026(3) 0.006(2) 0.018(2)
  O3    0.021(2) 0.005(2) -0.004(2) 0.032(3) -0.012(2) 0.030(3)
  O4    0.036(3) -0.010(2) 0.007(2) 0.020(2) .000(2) 0.029(2)
_refine_ls_R_factor_all            0.0473