#------------------------------------------------------------------------------
#$Date: 2014-07-11 15:35:18 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/88/1008811.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_1008811
_chemical_name_systematic
;
Trinickel undecamagnesium pentagermanium oxide
;
_chemical_formula_structural       '(Ni3 Mg11) Ge5 O24'
_chemical_formula_sum              'Ge5 Mg11 Ni3 O24'
_publ_section_title
;
A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni,
Mg)
;
loop_
_publ_author_name
  'Levy, D'
  'Barbier, J'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    130
_journal_year                      1997
_journal_page_first                9
_journal_page_last                 19
_cell_length_a                     14.446(3)
_cell_length_b                     10.174(2)
_cell_length_c                     5.917(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       869.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P b a m'
_symmetry_Int_Tables_number        55
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ge4+   4.000
  Ni2+   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
  Ge1   Ge4+   2 a 0. 0. 0. 1.  0 d
  Ge2   Ge4+   4 g 0.1257(1) 0.5017(1) 0. 1.  0 d
  Ge3   Ge4+   4 h 0.1865(1) 0.3253(1) 0.5 1.  0 d
  Ni1   Ni2+   2 d 0. 0.5 0.5 0.164  0 d
  Mg1   Mg2+   2 d 0. 0.5 0.5 0.836  0 d
  Ni2   Ni2+   2 b 0. 0. 0.5 0.58  0 d
  Mg2   Mg2+   2 b 0. 0. 0.5 0.42  0 d
  Ni3   Ni2+   4 g 0.1761(1) 0.1783(2) 0. 0.018  0 d
  Mg3   Mg2+   4 g 0.1761(1) 0.1783(2) 0. 0.982  0 d
  Ni4   Ni2+   4 h 0.3265(1) 0.1476(2) 0.5 0.098  0 d
  Mg4   Mg2+   4 h 0.3265(1) 0.1476(2) 0.5 0.902  0 d
  Ni5   Ni2+   8 i -0.0043(1) 0.2515(1) 0.2417(2) 0.236  0 d
  Mg5   Mg2+   8 i -0.0043(1) 0.2515(1) 0.2417(2) 0.764  0 d
  Ni6   Ni2+   8 i 0.3315(1) 0.4189(1) 0.2459(2) 0.271  0 d
  Mg6   Mg2+   8 i 0.3315(1) 0.4189(1) 0.2459(2) 0.729  0 d
  O1    O2-    4 g 0.0841(3) 0.3378(2) 0. 1.  0 d
  O2    O2-    4 g 0.4224(3) 0.3483(4) 0. 1.  0 d
  O3    O2-    4 g 0.2515(2) 0.0037(4) 0. 1.  0 d
  O4    O2-    4 h 0.0675(2) 0.3298(4) 0.5 1.  0 d
  O5    O2-    4 h 0.4136(3) 0.3309(4) 0.5 1.  0 d
  O6    O2-    4 h 0.2560(3) -0.0222(4) 0.5 1.  0 d
  O7    O2-    8 i 0.0750(2) 0.0774(2) 0.2238(5) 1.  0 d
  O8    O2-    8 i 0.4140(2) 0.0806(2) 0.2471(5) 1.  0 d
  O9    O2-    8 i 0.2432(2) 0.2515(3) 0.2730(5) 1.  0 d
_refine_ls_R_factor_all            0.103
_cod_database_code 1008811
_journal_paper_doi 10.1006/jssc.1997.7252