data_global
_chemical_name_mineral 'Chlorartinite'
loop_
_publ_author_name
'Sugimoto K'
'Dinnebier R E'
'Schlecht T'
_journal_name_full 'Powder Diffraction'
_journal_volume 22 
_journal_year 2007
_journal_page_first 64
_journal_page_last 67
_publ_section_title
;
 Crystal structure of dehydrated chlorartinite by X-ray powder diffraction
 Note: this is a dehydrated chlorartinite
;
_database_code_amcsd 0019538
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 C O6 Cl H5'
_cell_length_a 22.6791
_cell_length_b 22.6791
_cell_length_c 7.22336
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3217.522
_exptl_crystal_density_diffrn      1.831
_symmetry_space_group_name_H-M 'R 3 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mgl   0.28220   0.12080  -0.07000   0.03050
Mg2   0.28070   0.31490   0.33200   0.03050
C   0.30950   0.23320   0.04820   0.03050
O2   0.28960   0.18270   0.14700   0.03050
O3   0.31430   0.22820  -0.12000   0.03050
O4   0.31950   0.28730   0.11500   0.03050
Cl   0.14530   0.19240  -0.18000   0.03050
O-H5   0.25900   0.23270   0.49400   0.03050
Wat1   0.17540   0.07660  -0.08300   0.03050
Wat6   0.18800   0.27900   0.16200   0.03050