#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000249.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_1000249
_chemical_name_systematic
;
Dibarium octafluorotriniccolate decafluorotetraniccolate
;
_chemical_formula_structural       'Ba2 (Ni3 F8) (Ni4 F10)'
_chemical_formula_sum              'Ba2 F18 Ni7'
_publ_section_title
;
Crystal and magnetic structures of the ferrimagnet Ba~2~ Ni~7~ F~18~
;
loop_
_publ_author_name
  'Renaudin, J'
  'Ferey, G'
  'Kozak, A'
  'Samouel, M'
  'Lacorre, P'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    65
_journal_year                      1988
_journal_page_first                185
_journal_page_last                 188
_cell_length_a                     6.924(9)
_cell_length_b                     7.218(10)
_cell_length_c                     7.437(13)
_cell_angle_alpha                  94.39(12)
_cell_angle_beta                   93.20(13)
_cell_angle_gamma                  115.82(9)
_cell_volume                       331.9
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Ni2+   2.000
  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
  Ba1   Ba2+   2 i 0.315(5) 0.697(4) 0.624(3) 1.  0 d
  Ni1   Ni2+   1 b 0. 0. 0.5 1.  0 d
  Ni2   Ni2+   2 i 0.199(3) 0.884(2) 0.186(2) 1.  0 d
  Ni3   Ni2+   2 i 0.823(2) 0.618(2) 0.799(2) 1.  0 d
  Ni4   Ni2+   2 i 0.676(2) 0.718(3) 0.115(2) 1.  0 d
  F1    F1-    2 i 0.480(5) 0.565(5) 0.324(4) 1.  0 d
  F2    F1-    2 i 0.110(6) 0.762(4) 0.934(4) 1.  0 d
  F3    F1-    2 i 0.721(5) 0.986(5) 0.561(3) 1.  0 d
  F4    F1-    2 i 0.916(5) 0.712(5) 0.576(4) 1.  0 d
  F5    F1-    2 i 0.907(6) 0.878(5) 0.244(5) 1.  0 d
  F6    F1-    2 i 0.691(5) 0.811(5) 0.873(4) 1.  0 d
  F7    F1-    2 i 0.078(5) 0.606(5) 0.270(3) 1.  0 d
  F8    F1-    2 i 0.513(4) 0.924(5) 0.181(4) 1.  0 d
  F9    F1-    2 i 0.692(5) 0.497(5) 0.012(4) 1.  0 d
_refine_ls_R_factor_all            0.028
_cod_database_code 1000249