data_104897-ICSD
#©2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                104897
_audit_creation_date               2004/10/01
_audit_update_record               2011/02/01
_chemical_name_systematic          'Magnesium Zinc (1/2)'
_chemical_formula_structural       'Mg Zn2'
_chemical_formula_sum              'Mg1 Zn2'
_publ_section_title
;
Structural studies of stacking variants in Mg-base Friauf-Laves 
phases
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica B (24,1968-38,1982)' 1980 36 1548 1554 ACBCAR
_publ_author_name                  'Komura, Y.;Tokunaga, K.'
_cell_length_a                     5.221(3)
_cell_length_b                     5.221
_cell_length_c                     8.567(6)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       202.24
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_refine_ls_R_factor_all            0.058
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x, x-y, -z+1/2'
  2	'-x+y, y, -z+1/2'
  3	'-y, -x, -z+1/2'
  4	'-x+y, -x, -z+1/2'
  5	'-y, x-y, -z+1/2'
  6	'x, y, -z+1/2'
  7	'-x, -x+y, z+1/2'
  8	'x-y, -y, z+1/2'
  9	'y, x, z+1/2'
 10	'x-y, x, z+1/2'
 11	'y, -x+y, z+1/2'
 12	'-x, -y, z+1/2'
 13	'-x, -x+y, -z'
 14	'x-y, -y, -z'
 15	'y, x, -z'
 16	'x-y, x, -z'
 17	'y, -x+y, -z'
 18	'-x, -y, -z'
 19	'x, x-y, z'
 20	'-x+y, y, z'
 21	'-y, -x, z'
 22	'-x+y, -x, z'
 23	'-y, x-y, z'
 24	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg0+	0
Zn0+	0
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_B_iso_or_equiv
Mg1 Mg0+ 4 f 0.3333 0.6667 0.06299(65) 1. 0 0.90(8) 
Zn1 Zn0+ 2 a 0 0 0 1. 0 0.90(4) 
Zn2 Zn0+ 6 h 0.83053(18) 0.66106 0.25 1. 0 0.91(3) 

#End of data_104897-ICSD


