data_global
_chemical_name_mineral 'Tondiite'
loop_
_publ_author_name
'Malcherek T'
'Bindi L'
'Dini M'
'Ghiara M R'
'Molina Donoso A'
'Nestola F'
'Rossi M'
'Schluter J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 78 
_journal_year 2014
_journal_page_first 583
_journal_page_last 590
_publ_section_title
;
 Tondiite, Cu3Mg(OH)6Cl2, the Mg-analogue of herbertsmithite
 Note: Sample IIa
;
_database_code_amcsd 0020438
_chemical_compound_source 'Santo Domingo mine, Arica Province, Chile'
_chemical_formula_sum 'Cu3.296 Mg.704 Cl2 O6 H6'
_cell_length_a 6.8345
_cell_length_b 6.8345
_cell_length_c 14.0022
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 566.422
_exptl_crystal_density_diffrn      3.514
_symmetry_space_group_name_H-M 'R -3 m'
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,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-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'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-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_occupancy
_atom_site_U_iso_or_equiv
Cu1   0.50000   0.00000   0.00000   1.00000   0.01020
Cu2   0.00000   0.00000   0.50000   0.29600   0.00880
Mg2   0.00000   0.00000   0.50000   0.70400   0.00880
Cl   0.00000   0.00000   0.19432   1.00000   0.01390
O   0.20646  -0.20646   0.06214   1.00000   0.01250
H   0.13600  -0.13600   0.08200   1.00000   0.03100
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 0.00970 0.00900 0.01180 0.00450 0.00093 0.00186
Cu2 0.01020 0.01020 0.00600 0.00510 0.00000 0.00000
Mg2 0.01020 0.01020 0.00600 0.00510 0.00000 0.00000
Cl 0.01540 0.01540 0.01110 0.00770 0.00000 0.00000
O 0.01080 0.01080 0.01620 0.00560 0.00190 -0.00190