#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002368.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_2002368
_chemical_name_systematic          'Barium magnesium tantalum oxide (4/1/10/30)'
_chemical_formula_structural       'Ba4 Mg Ta10 O30'
_chemical_formula_sum              'Ba4 Mg O30 Ta10'
_publ_section_title
;
Zur Kenntnis von Ba4 Mg Ta10 O30 und Ba4 Ni Ta10 O30 Verbindungen mit
Verwandtschaft zur tetragonalen Wolfram Bronze und zu Na Nb6 O15 F -
Typ
;
loop_
_publ_author_name
  'Brandt, R'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    551
_journal_year                      1987
_journal_page_first                13
_journal_page_last                 20
_cell_length_a                     3.9001(11)
_cell_length_b                     10.2225(22)
_cell_length_c                     14.9737(33)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       597.0
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'A m m 2'
_symmetry_Int_Tables_number        38
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  'x,1/2+y,1/2+z'
  '-x,1/2-y,1/2+z'
  '-x,1/2+y,1/2+z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ta5+   5.000
  Ba2+   2.000
  Mg2+   2.000
  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
  Ta1   Ta5+   2 a 0. 0. 0. 1.  0 d
  Ta2   Ta5+   4 d 0. 0.3148(3) 0.8711(2) 1.  0 d
  Ta3   Ta5+   4 d 0. 0.3153(3) 0.1239(3) 1.  0 d
  Ba1   Ba2+   2 b 0.5 0. 0.2050(5) 1.  0 d
  Ba2   Ba2+   2 b 0.5 0. 0.7998(6) 1.  0 d
  Mg1   Mg2+   2 b 0.5 0. 0.5081(79) 0.5  0 d
  O1    O2-    2 b 0.5 0. .000(8) 1.  0 d
  O2    O2-    4 e 0.5 0.347(6) 0.898(4) 1.  0 d
  O3    O2-    4 e 0.5 0.319(6) 0.163(3) 1.  0 d
  O4    O2-    4 d 0. 0.117(5) 0.907(3) 1.  0 d
  O5    O2-    4 d 0. 0.143(5) 0.085(3) 1.  0 d
  O6    O2-    4 d 0. 0.274(10) 0.251(6) 1.  0 d
  O7    O2-    4 d 0. 0.350(6) 0.983(5) 1.  0 d
  O8    O2-    2 a 0. 0. 0.685(5) 1.  0 d
  O9    O2-    2 a 0. 0. 0.336(4) 1.  0 d
_refine_ls_R_factor_all            0.047