#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011284.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_1011284
_chemical_name_systematic          'Magnesium borate chloride *'
_chemical_name_mineral             'Boracite'
_chemical_formula_structural       'Mg6 B14 O26 Cl2'
_chemical_formula_sum              'B14 Cl2 Mg6 O26'
_publ_section_title
;
Kristallstrukturelle Untersuchungen an Borazit
;
loop_
_publ_author_name                  'Mehmel, M'
_journal_name_full                 'Fortschritte der Mineralogie'
_journal_coden_ASTM                FMRLAL
_journal_volume                    17
_journal_year                      1932
_journal_page_first                436
_journal_page_last                 438
_cell_length_a                     12.1
_cell_length_b                     12.1
_cell_length_c                     12.1
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1771.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'F -4 3 c'
_symmetry_Int_Tables_number        219
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  'x,z,1/2+y'
  'y,x,1/2+z'
  'z,y,1/2+x'
  '-x,-z,1/2+y'
  '-y,-x,1/2+z'
  '-z,-y,1/2+x'
  'x,-z,1/2-y'
  'y,-x,1/2-z'
  'z,-y,1/2-x'
  '-x,z,1/2-y'
  '-y,x,1/2-z'
  '-z,y,1/2-x'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  'x,1/2+z,y'
  '1/2+x,z,y'
  '1/2+x,1/2+z,1/2+y'
  'y,1/2+x,z'
  '1/2+y,x,z'
  '1/2+y,1/2+x,1/2+z'
  'z,1/2+y,x'
  '1/2+z,y,x'
  '1/2+z,1/2+y,1/2+x'
  '-x,1/2-z,y'
  '1/2-x,-z,y'
  '1/2-x,1/2-z,1/2+y'
  '-y,1/2-x,z'
  '1/2-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  '-z,1/2-y,x'
  '1/2-z,-y,x'
  '1/2-z,1/2-y,1/2+x'
  'x,1/2-z,-y'
  '1/2+x,-z,-y'
  '1/2+x,1/2-z,1/2-y'
  'y,1/2-x,-z'
  '1/2+y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  'z,1/2-y,-x'
  '1/2+z,-y,-x'
  '1/2+z,1/2-y,1/2-x'
  '-x,1/2+z,-y'
  '1/2-x,z,-y'
  '1/2-x,1/2+z,1/2-y'
  '-y,1/2+x,-z'
  '1/2-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '-z,1/2+y,-x'
  '1/2-z,y,-x'
  '1/2-z,1/2+y,1/2-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cl1-  -1.000
  Mg2+   2.000
  B3+    3.000
  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
  Cl1   Cl1-   8 a 0. 0. 0. 1.  0 d
  Mg1   Mg2+  24 d 0.25 0. 0. 1.  0 d
  B1    B3+   24 c 0.25 0.25 0. 1.  0 d
  B2    B3+   32 e 0.3667 0.3667 0.3667 1.  0 d
  O1    O2-    8 b 0.25 0.25 0.25 1.  0 d
  O2    O2-   96 h 0.308 0.336 0.458 1.  0 d