#------------------------------------------------------------------------------
#$Date: 2009-05-13 19:45:18 +0100 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: svn://www.crystallography.net/cod/cif/1/1011381.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_1011381
_chemical_name_systematic          'Dimagnesium zinc antimonide (1.86/1.14/2)'
_chemical_formula_structural       '(Mg1.86 Zn1.14) Sb2'
_chemical_formula_analytical       'Mg2 Zn Sb2'
_chemical_formula_sum              'Mg1.86 Sb2 Zn1.14'
_publ_section_title
;
Zur Kenntnis der Ersetzbarkeit von Zink durch Magnesium und umgekehrt
1. Ueber die Mischbarkeit von Mg3 Sb2 und Zn3 Sb2 und die Struktur der
Mischkristalle
;
loop_
_publ_author_name                  'Loehberg, K'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM                ZPCBAL
_journal_volume                    27
_journal_year                      1934
_journal_page_first                381
_journal_page_last                 403
_cell_length_a                     4.428(4)
_cell_length_b                     4.428
_cell_length_c                     7.185(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       122.0
_cell_formula_units_Z              1
_exptl_crystal_density_meas        4.94
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  Zn2+   2.000
  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
  Mg1   Mg2+   1 a 0. 0. 0. 0.62  0 d
  Zn1   Zn2+   1 a 0. 0. 0. 0.38  0 d
  Mg2   Mg2+   2 d 0.3333 0.6667 0.641 0.62  0 d
  Zn2   Zn2+   2 d 0.3333 0.6667 0.641 0.38  0 d
  Sb1   Sb3-   2 d 0.3333 0.6667 0.231 1.  0 d