data_1009059
_chemical_name_systematic          'Sodium tin antimonide (5/1/3)'
_chemical_formula_structural       'Na5 Sn Sb3'
_chemical_formula_sum              'Na5 Sb3 Sn'
_publ_section_title
;
Na5 Sn Sb3 and K8 Sn Sb4, zwei neue Zintlphasen mit tetraedrischen
SnSb4-Baueinheiten
;
loop_
_publ_author_name
  'Eisenmann, B'
  'Klein, J'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_coden_ASTM                ZNBSEN
_journal_volume                    43
_journal_year                      1988
_journal_page_first                1156
_journal_page_last                 1160
_cell_length_a                     18.59399(600)
_cell_length_b                     9.181(4)
_cell_length_c                     12.493(5)
_cell_angle_alpha                  90
_cell_angle_beta                   98.3(1)
_cell_angle_gamma                  90
_cell_volume                       2110.4
_cell_formula_units_Z              8
_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
  Na1+   1.000
  Sn4+   4.000
  Sb3-  -3.000
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
  Na1   Na1+   4 e 0.0058(3) 0.0719(6) 0.8634(4) 1.  0 d
  Na2   Na1+   4 e 0.3480(3) 0.0698(6) 0.5112(4) 1.  0 d
  Na3   Na1+   4 e 0.2997(3) 0.8234(6) 0.0570(4) 1.  0 d
  Na4   Na1+   4 e 0.1817(3) 0.0715(6) 0.1732(4) 1.  0 d
  Na5   Na1+   4 e 0.5158(3) 0.0634(6) 0.8730(4) 1.  0 d
  Na6   Na1+   4 e 0.1279(3) 0.8167(7) 0.7237(5) 1.  0 d
  Na7   Na1+   4 e 0.1953(3) 0.1538(7) 0.9021(5) 1.  0 d
  Na8   Na1+   4 e 0.0276(3) 0.1602(7) 0.5822(5) 1.  0 d
  Na9   Na1+   4 e 0.5337(3) 0.1818(7) 0.5941(5) 1.  0 d
  Na10  Na1+   4 e 0.3724(3) 0.1872(7) 0.2433(5) 1.  0 d
  Sn1   Sn4+   4 e 0.3301 0.9298(1) 0.7794(1) 1.  0 d
  Sn2   Sn4+   4 e 0.1724 0.5834(1) 0.9461(1) 1.  0 d
  Sb1   Sb3-   4 e 0.2923 0.6299(1) 0.8195(1) 1.  0 d
  Sb2   Sb3-   4 e 0.3658 0.1065(1) 0.9642(1) 1.  0 d
  Sb3   Sb3-   4 e 0.1183 0.8605(1) 0.9858(1) 1.  0 d
  Sb4   Sb3-   4 e 0.2156 0.0800(1) 0.6429(1) 1.  0 d
  Sb5   Sb3-   4 e 0.0675 0.3952(1) 0.8376(1) 1.  0 d
  Sb6   Sb3-   4 e 0.4522 0.8828(1) 0.6711(1) 1.  0 d
_refine_ls_R_factor_all            0.047