#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000289.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_1000289
_chemical_name_systematic
;
Sodium distrontium hexafluorochromate(III) difluoride
;
_chemical_formula_structural       'Na Sr2 (Cr F6) F2'
_chemical_formula_sum              'Cr F8 Na Sr2'
_publ_section_title
;
NaSr~2~CrF~8~: a new structure with two "independent F^-^"
;
loop_
_publ_author_name
  'Hemon, A'
  'Courbion, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    87
_journal_year                      1990
_journal_page_first                344
_journal_page_last                 349
_cell_length_a                     7.7388(6)
_cell_length_b                     6.2756(5)
_cell_length_c                     14.827(2)
_cell_angle_alpha                  90
_cell_angle_beta                   112.03(1)
_cell_angle_gamma                  90
_cell_volume                       667.5
_cell_formula_units_Z              4
_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
  Sr2+   2.000
  Cr3+   3.000
  Na1+   1.000
  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
  Sr1   Sr2+   4 e 0.09900(4) 0.27654(5) 0.19682(2) 1.  0 d
  Sr2   Sr2+   4 e 0.41468(4) 0.84217(5) 0.35578(2) 1.  0 d
  Cr1   Cr3+   4 e 0.69368(7) 0.27844(8) 0.40287(4) 1.  0 d
  Na1   Na1+   4 e 0.8553(3) 0.8234(3) 0.0585(1) 1.  0 d
  F1    F1-    4 e 0.1746(3) 0.8737(4) 0.1771(2) 1.  0 d
  F2    F1-    4 e 0.8546(3) 0.5527(3) 0.1560(1) 1.  0 d
  F3    F1-    4 e 0.0824(3) 0.8014(4) 0.9848(2) 1.  0 d
  F4    F1-    4 e 0.8147(3) 0.0540(3) 0.1736(2) 1.  0 d
  F5    F1-    4 e 0.6458(3) 0.9319(3) 0.9162(2) 1.  0 d
  F6    F1-    4 e 0.5266(3) 0.7358(4) 0.2149(2) 1.  0 d
  F7    F1-    4 e 0.7456(3) 0.5147(3) 0.8898(2) 1.  0 d
  F8    F1-    4 e 0.4531(3) 0.6880(4) 0.0280(2) 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
  Sr1   0.0099(1) -0.0003(1) 0.0040(1) 0.0084(2) 0.0007(1) 0.0090(2)
  Sr2   0.0081(1) 0.0008(1) 0.0039(1) 0.0096(1) 0.0004(1) 0.0085(1)
  Cr1   0.0096(2) -0.0005(1) 0.0034(2) 0.0070(2) -0.0002(1) 0.0060(2)
  Na1   0.0231(8) 0.0022(6) 0.0059(6) 0.0201(8) 0.0042(6) 0.0139(7)
  F1    0.0139(8) 0.0032(7) 0.0058(7) 0.0193(10) -0.0005(7) 0.0097(8)
  F2    0.0107(7) -0.0004(6) 0.0036(7) 0.0110(8) -0.0001(7) 0.0110(8)
  F3    0.0153(9) -0.0002(7) 0.0022(7) 0.0169(10) -0.0008(7) 0.0082(8)
  F4    0.0130(8) 0.0007(7) 0.0048(7) 0.0134(9) -0.0003(7) 0.0116(8)
  F5    0.0186(9) -0.0042(7) 0.0012(8) 0.0082(8) 0.0010(7) 0.0189(10)
  F6    0.0117(9) 0.0024(7) 0.0029(7) 0.0204(10) 0.0014(8) 0.0106(9)
  F7    0.0164(8) -0.0008(7) 0.0114(8) 0.0081(8) 0.0048(7) 0.0218(10)
  F8    0.0195(10) 0.0047(8) 0.0097(7) 0.0189(10) -0.0006(8) 0.0114(8)
_refine_ls_R_factor_all            0.04