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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/41/1004145.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_1004145
_chemical_name_systematic
;
Distrontium diruthenium(VI) ruthenium(IV) oxide
;
_chemical_formula_structural       'Sr2 Ru3 O10'
_chemical_formula_sum              'O10 Ru3 Sr2'
_publ_section_title
;
High-pressure synthesis and crystal structure of a new strontium
ruthenium oxide: Sr2 Ru3 O10
;
loop_
_publ_author_name
  'Renard, C'
  'Daviero-Minaud, S'
  'Abraham, F'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    143
_journal_year                      1999
_journal_page_first                266
_journal_page_last                 272
_cell_length_a                     10.985(3)
_cell_length_b                     5.635(1)
_cell_length_c                     6.452(6)
_cell_angle_alpha                  90
_cell_angle_beta                   105.3(4)
_cell_angle_gamma                  90
_cell_volume                       385.2
_cell_formula_units_Z              2
_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
  Ru4+   4.000
  Ru6+   6.000
  Sr2+   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
  Ru1   Ru4+   2 a 0. 0. 0. 1.  0 d
  Ru2   Ru6+   4 h 0. 0.2299(1) 0.5 1.  0 d
  Sr1   Sr2+   4 i 0.67081(9) 0. 0.1455(1) 1.  0 d
  O1    O2-    8 j -0.0193(4) 0.2458(8) 0.1915(7) 1.  0 d
  O2    O2-    4 i 0.1918(7) 0. 0.116(1) 1.  0 d
  O3    O2-    4 i 0.3839(6) 0. 0.475(1) 1.  0 d
  O4    O2-    4 i 0.8611(6) 0. 0.459(1) 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
  Ru1   0.0065(5) 0. 0.0036(3) 0.0032(4) 0. 0.0042(4)
  Ru2   0.0044(3) 0. 0.0030(2) 0.0036(3) 0. 0.0042(3)
  Sr1   0.0068(4) 0. 0.0043(3) 0.0078(4) 0. 0.0100(4)
  O1    0.013(2) 0.001(2) 0.005(2) 0.005(2) -0.002(2) 0.004(2)
  O2    0.008(3) 0. 0.004(3) 0.017(3) 0. 0.007(3)
  O3    0.003(3) 0. 0.002(2) 0.006(3) 0. 0.010(3)
  O4    0.003(3) 0. 0.003(2) 0.008(3) 0. 0.014(3)
_refine_ls_R_factor_all            0.032
_cod_database_code 1004145
_journal_paper_doi 10.1006/jssc.1998.8105