#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001742.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_1001742
_chemical_name_systematic
;
Sodium potassium pentamagnesium dodecasilicate
;
_chemical_name_mineral             'Eifelite M'
_chemical_compound_source          'rich - synthetic'
_chemical_formula_structural       'Na K Mg5 Si12 O30'
_chemical_formula_sum              'K Mg5 Na O30 Si12'
_publ_section_title                'Silicates synthetiques a structure milarite'
loop_
_publ_author_name
  'Nguyen, N'
  'Choisnet, J'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    34
_journal_year                      1980
_journal_page_first                1
_journal_page_last                 9
_cell_length_a                     10.152
_cell_length_b                     10.152
_cell_length_c                     14.28
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1274.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 6/m c c'
_symmetry_Int_Tables_number        192
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'y,x,1/2-z'
  'x-y,-y,1/2-z'
  '-x,y-x,1/2-z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-x,-y,z'
  'y,y-x,z'
  'x-y,x,z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
  '-y,-x,1/2+z'
  'y-x,y,1/2+z'
  'x,x-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  K1+    1.000
  Mg2+   2.000
  Si4+   4.000
  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
  Na1   Na1+   4 d 0.3333 0.6667 0. 0.5  0 d
  K1    K1+    2 a 0. 0. 0.25 1.  0 d
  Mg1   Mg2+   4 c 0.3333 0.6667 0.25 1.  0 d
  Mg2   Mg2+   6 f 0.5 0. 0.25 1.  0 d
  Si1   Si4+  24 m 0.763 0.114 0.109 1.  0 d
  O1    O2-   12 l 0.734 0.132 0. 1.  0 d
  O2    O2-   24 m 0.945 0.221 0.133 1.  0 d
  O3    O2-   24 m 0.662 0.157 0.172 1.  0 d
_refine_ls_R_factor_all            0.055