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#$Date: 2017-02-10 15:10:13 +0200 (Fri, 10 Feb 2017) $
#$Revision: 191974 $
#$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
loop_
_publ_author_name
'Baitinger, M.'
'von Schnering, H. G.'
'Grin, Yu.'
'Kniep, R.'
_publ_section_title
;
Redetermination of the crystal structure of tetrasodium tetrahedro-
tetrastannide, Na₄Sn₄ and tetrapotassium tetrahedro-tetrastannide, 
K₄Sn₄
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              453
_journal_page_last               454
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Na4 Sn4'
_chemical_formula_sum            'Na4 Sn4'
_chemical_formula_weight         2266.88
_chemical_name_common            'sodium stannide'
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.475(1)
_cell_length_b                   10.475(1)
_cell_length_c                   17.412(2)
_cell_volume                     1910.5(6)
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.9681(7)
_refine_ls_R_factor_obs          0.0580
_refine_ls_wR_factor_obs         0.0580
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_database_code               8101628
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
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)
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 1
Na2 0.3748(11) 0.6248(11) 0.125 Uani 0.040(4) 16 f Na 1
Sn 0.0695(2) 0.1261(2) 0.93525(9) Uani 0.0280(5) 32 g Sn 1
