#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/24/2002417.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_2002417
_chemical_name_systematic          'Zinc magnesium tantalum oxide (2.1/.9/2/8)'
_chemical_formula_structural       'Zn2.1 Mg.9 Ta2 O8'
_chemical_formula_sum            'Mg0.9 O8 Ta2 Zn2.1'
_[local]_cod_chemical_formula_sum_orig 'Mg.9 O8 Ta2 Zn2.1'
_publ_section_title
;
Beitraege zur Kristallchemie von Zn(4-x) Mg(x) Ta2 O9 und Zn2.1 Mg0.9
Ta2 O9
;
loop_
_publ_author_name
  'Halle, G'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    564
_journal_year                      1988
_journal_page_first                31
_journal_page_last                 36
_cell_length_a                     19.00459(800)
_cell_length_b                     5.8836(17)
_cell_length_c                     5.1908(52)
_cell_angle_alpha                  90
_cell_angle_beta                   90.23(4)
_cell_angle_gamma                  90
_cell_volume                       580.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  Zn2+   2.000
  Ta5+   5.000
  O2-   -2.000
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+   4 e 0. 0.6464(13) 0.25 0.9  0 d
  Zn1   Zn2+   4 e 0. 0.6464(13) 0.25 0.1  0 d
  Zn2   Zn2+   8 f 0.2799(1) 0.1527(4) 0.2615(5) 1.  0 d
  Ta1   Ta5+   8 f 0.1147(1) 0.1615(1) 0.2402(1) 1.  0 d
  O1    O2-    8 f 0.192(1) 0.354(2) 0.369(2) 1.  0 d
  O2    O2-    8 f 0.181(1) 0.101(2) 0.945(3) 1.  0 d
  O3    O2-    8 f 0.059(1) 0.377(2) 0.090(2) 1.  0 d
  O4    O2-    8 f 0.070(1) 0.115(2) 0.573(2) 1.  0 d
_refine_ls_R_factor_all            0.076
_cod_database_code 2002417
_journal_paper_doi 10.1002/zaac.19885640105