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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/1/00/14/1001476.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_1001476
_chemical_name_systematic          'Dicalcium holmium ruthenate(V)'
_chemical_formula_structural       'Ca2 Ho (Ru O6)'
_chemical_formula_sum              'Ca2 Ho O6 Ru'
_publ_section_title
;
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and
Sr~2~ErRuO~6~
;
loop_
_publ_author_name
  'Battle, P D'
  'Jones, C W'
  'Studer, F'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    90
_journal_year                      1991
_journal_page_first                302
_journal_page_last                 312
_cell_length_a                     5.4991(1)
_cell_length_b                     5.7725(1)
_cell_length_c                     7.9381(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90.18(1)
_cell_angle_gamma                  90
_cell_volume                       252.0
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Ho3+   3.000
  O2-   -2.000
  Ru5+   5.000
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
  Ca1   Ca2+   4 e 0.5167(4) 0.5620(3) 0.2555(4) 0.730(4)  0 d
  Ho1   Ho3+   4 e 0.5167(4) 0.5620(3) 0.2555(4) 0.270(4)  0 d
  Ca2   Ca2+   2 c 0. 0.5 0. 0.540(4)  0 d
  Ho2   Ho3+   2 c 0. 0.5 0. 0.460(4)  0 d
  O1    O2-    4 e 0.2123(4) 0.1788(5) -0.0545(4) 1.  0 d
  O2    O2-    4 e 0.3277(4) 0.7182(4) -0.0678(4) 1.  0 d
  O3    O2-    4 e 0.3835(4) -0.0518(4) 0.2303(4) 1.  0 d
  Ru1   Ru5+   2 d 0.5 0. 0. 1.  0 d
_refine_ls_R_factor_all            0.043
_cod_database_code 1001476
_journal_paper_doi 10.1016/0022-4596(91)90147-A