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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008149.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_1008149
_chemical_name_systematic          'Ruthenium(V) fluoride'
_chemical_formula_structural       'Ru F5'
_chemical_formula_sum              'F5 Ru'
_publ_section_title
;
Interactions magnetiques intra- et interclusters dans les
pentafluorures Ru F~5~ Et Os F~5~
;
loop_
_publ_author_name
  'Darriet, J'
  'Soubeyroux, J L'
  'Touhara, H'
  'Tressaud, A'
  'Hagenmueller, P'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    17
_journal_year                      1982
_journal_page_first                315
_journal_page_last                 324
_cell_length_a                     5.385
_cell_length_b                     9.815
_cell_length_c                     12.289
_cell_angle_alpha                  90
_cell_angle_beta                   99.53
_cell_angle_gamma                  90
_cell_volume                       640.6
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ru5+   5.000
  F1-   -1.000
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   Ru5+   4 e 0.001 0.255 0.002 1.  0 d
  Ru2   Ru5+   4 e 0.3 0.0025 0.199 1.  0 d
  F1    F1-    4 e 0.212(1) 0.080(1) 0.046(1) 1.  0 d
  F2    F1-    4 e 0.096(1) 0.327(1) 0.127(1) 1.  0 d
  F3    F1-    4 e 0.396(1) -0.079(1) 0.318(1) 1.  0 d
  F4    F1-    4 e 0.504(1) 0.170(1) 0.258(1) 1.  0 d
  F5    F1-    4 e -0.186(1) 0.425(1) -0.049(1) 1.  0 d
  F6    F1-    4 e -0.101(1) 0.175(1) -0.138(1) 1.  0 d
  F7    F1-    4 e -0.302(1) 0.175(1) 0.052(1) 1.  0 d
  F8    F1-    4 e 0.608(1) -0.066(1) 0.154(1) 1.  0 d
  F9    F1-    4 e 0.011(1) 0.075(1) 0.254(1) 1.  0 d
  F10   F1-    4 e 0.299(1) 0.322(1) -0.066(1) 1.  0 d
_refine_ls_R_factor_all            0.05