#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/88/1008872.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_1008872
_chemical_name_systematic
;
Decasodium di-$-mue-arsenido-bis(diarsenidostannate)
;
_chemical_formula_structural       'Na10 (As2 (Sn As2)2)'
_chemical_formula_sum              'As6 Na10 Sn2'
_publ_section_title
;
Dimere Zintl-Anionen (Sn2 As6)10- und (Sn2 Sb6)10- in Alkaliverbindungen
;
loop_
_publ_author_name
  'Eisenmann, B'
  'Klein, J'
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_coden_ASTM                ZEKRDZ
_journal_volume                    196
_journal_year                      1991
_journal_page_first                213
_journal_page_last                 229
_cell_length_a                     13.716(6)
_cell_length_b                     7.642(4)
_cell_length_c                     8.527(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90.3(1)
_cell_angle_gamma                  90
_cell_volume                       893.8
_cell_formula_units_Z              2
_exptl_crystal_density_meas        3.4
_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
  Sn4+   4.000
  As3-  -3.000
  Na1+   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
  Sn1   Sn4+   4 e 0.0891(1) 0.1468(1) 0.4276(1) 1.  0 d
  As1   As3-   4 e 0.2365(1) 0.2459(1) 0.5976(1) 1.  0 d
  As2   As3-   4 e 0.0822(1) 0.2677(1) 0.1426(1) 1.  0 d
  As3   As3-   4 e 0.9286(1) 0.2086(1) 0.5942(1) 1.  0 d
  Na1   Na1+   4 e 0.7425(4) 0.1432(5) 0.4281(6) 1.  0 d
  Na2   Na1+   4 e 0.4177(4) 0.1618(5) 0.4226(6) 1.  0 d
  Na3   Na1+   4 e 0.0884(4) 0.0225(6) 0.8319(7) 1.  0 d
  Na4   Na1+   4 e 0.0886(4) 0.5390(6) 0.6776(6) 1.  0 d
  Na5   Na1+   4 e 0.2589(4) 0.9956(5) 0.1700(6) 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
  Sn1   0.0075(4) 0.0001(3) 0.0004(3) 0.0069(4) 0.0002(3) 0.0074(4)
  As1   0.0110(6) -0.0007(5) -0.0019(4) 0.0116(6) -0.0017(5) 0.0110(6)
  As2   0.0132(6) 0.0006(5) -0.0002(4) 0.0121(6) 0.0030(5) 0.0085(6)
  As3   0.0097(6) 0.0009(5) 0.0022(4) 0.0076(6) -0.0008(5) 0.0125(6)
  Na1   0.0229(30) 0.0030(25) -0.0032(23) 0.0208(31) -0.0032(24) 0.0153(27)
  Na2   0.0228(31) -0.0006(26) 0.0009(23) 0.0251(34) -0.0013(25) 0.0134(27)
  Na3   0.0377(39) 0.0147(30) 0.0088(27) 0.0244(34) 0.0062(27) 0.0193(31)
  Na4   0.0289(36) -0.0001(29) -0.0030(27) 0.0338(34) 0.0027(28) 0.0270(34)
  Na5   0.0336(37) 0.0096(28) -0.0002(26) 0.0191(32) -0.0032(25) 0.0204(31)
_refine_ls_R_factor_all            0.072
_cod_database_code 1008872