data_2002771
_chemical_name_systematic
;
Silver sodium calcium ruthenium oxide (0.4/2.3/4.3/1/8)
;
_chemical_formula_structural       'Ag0.4 Na2.3 Ca4.3 Ru O8'
_chemical_formula_sum              'Ag.4 Ca4.3 Na2.3 O8 Ru'
_publ_section_title
;
Eine silberhaltige Phase eines Oxoruthenats: Ag0.4 Na2.3 Ca4.3 Ru O8
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Frenzen, S'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    51
_journal_year                      1996
_journal_page_first                485
_journal_page_last                 488
_cell_length_a                     9.255(1)
_cell_length_b                     6.683(1)
_cell_length_c                     6.696(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       414.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C m m m'
_symmetry_Int_Tables_number        65
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-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'
  '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
  Na1+   1.000
  Ag1+   1.000
  Ca2+   2.000
  Ru5+   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
  Na1   Na1+   2 a 0. 0. 0. 0.5904(15)  0 d
  Ag1   Ag1+   2 a 0. 0. 0. 0.4096(15)  0 d
  Na2   Na1+   2 b 0.5 0. 0. 0.696(6)  0 d
  Ca2   Ca2+   2 b 0.5 0. 0. 0.304(6)  0 d
  Na3   Na1+   2 d 0. 0. 0.5 1.  0 d
  Ca1   Ca2+   8 m 0.25 0.25 0.24734(6) 1.  0 d
  Ru1   Ru5+   2 c 0.5 0. 0.5 1.  0 d
  O1    O2-    8 n 0.5 0.2106(2) 0.2913(2) 1.  0 d
  O2    O2-    4 h 0.2814(2) 0. 0.5 1.  0 d
  O3    O2-    4 g 0.2272(4) 0. 0. 0.5  0 d
  O4    O2-    4 g 0.2434(4) 0. 0. 0.5  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
  Na1   0.0071(2) 0. 0. 0.0185(2) 0. 0.0123(2)
  Ag1   0.0071(2) 0. 0. 0.0185(2) 0. 0.0123(2)
  Na2   0.0089(5) 0. 0. 0.0124(5) 0. 0.0080(5)
  Ca2   0.0089(5) 0. 0. 0.0124(5) 0. 0.0080(5)
  Na3   0.0150(7) 0. 0. 0.0095(6) 0. 0.0131(7)
  Ca1   0.0084(2) 0.00014(9) 0. 0.0111(2) 0. 0.0092(2)
  Ru1   0.00464(10) 0. 0. 0.00785(11) 0. 0.00777(12)
_refine_ls_R_factor_all            0.0407