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#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/16/8101628.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_8101628
_journal_name_full  'Zeitschrift fur Kristallographie - NCS'
_journal_year       1999
_publ_section_title
;
Crystal structure redetermination of the tetrahedranides Na~4~Sn~4~ and
K~4~Sn~4~
;
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_[local]_cod_cif_authors_sg_H-M  'I 41/a c d'
loop_
_publ_author_name
  'Baitinger, M.'
  'Schnering, H. G. von'
  'Grin, Yu.'
  'Kniep, R.'
_chemical_name_common  'sodium stannide'
_chemical_formula_structural  'Na4 Sn4'
_chemical_formula_sum  'Na4 Sn4'
_chemical_formula_weight  2266.88
_symmetry_cell_setting  tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z  3/4-y,1/4+x,3/4+z  1/2-x,-y,1/2+z  3/4+y,3/4-x,1/4+z  -x,y,1/2+z
  1/4+y,1/4+x,1/4+z 1/2+x,-y,z  1/4-y,3/4-x,3/4+z  -x,-y,-z
  -3/4+y,-1/4-x,-3/4-z -1/2+x,y,-1/2-z  -3/4-y,-3/4+x,-1/4-z  x,-y,-1/2-z
  -1/4-y,-1/4-x,-1/4-z -1/2-x,y,-z  -1/4+y,-3/4+x,-3/4-z  1/2+x,1/2+y,1/2+z
  5/4-y,3/4+x,5/4+z 1-x,1/2-y,1+z  5/4+y,5/4-x,3/4+z  1/2-x,1/2+y,1+z
  3/4+y,3/4+x,3/4+z 1+x,1/2-y,1/2+z  3/4-y,5/4-x,5/4+z  1/2-x,1/2-y,1/2-z
  -1/4+y,1/4-x,-1/4-z x,1/2+y,-z  -1/4-y,-1/4+x,1/4-z  1/2+x,1/2-y,-z
  1/4-y,1/4-x,1/4-z -x,1/2+y,1/2-z  1/4+y,-1/4+x,-1/4-z
_cell_length_a  10.475(1)
_cell_length_b  10.475(1)
_cell_length_c  17.412(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1910.5(6)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.9681(7)
_diffrn_ambient_temperature  295
_diffrn_ambient_environment  air
_refine_ls_R_factor_obs  0.0580
_refine_ls_wR_factor_obs  0.0580
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_type_symbol
_atom_site_occupancy
Na1  0.875(2)  0  0.25  Uani  0.036(4)  16 e Na  .
Na2  0.3748(11)  0.6248(11)  0.125  Uani  0.040(4)  16 f Na  .
Sn  0.0695(2)  0.1261(2)  0.93525(9) Uani  0.0280(5)  32 g Sn  .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1  0.034(7)  0.030(7)  0.044(7)  0  0  -0.007(7)
Na2  0.039(5)  0.039(5)  0.043(8)  -0.001(9)  -0.005(5)  0.005(5)
Sn  0.0263(8)  0.0302(9)  0.0276(7)  -0.0007(8)  -0.0088(8)  0.0114(8)
_cod_database_code 8101628