data_global
_chemical_name_mineral 'Magnesiocarpholite'
loop_
_publ_author_name
'Viswanathan K'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 1080
_journal_page_last 1085
_publ_section_title
;
 The crystal structure of a Mg-rich carpholite
;
_database_code_amcsd 0000849
_chemical_compound_source 'southeast Sfinari, West Crete'
_chemical_formula_sum '(Mg.796 Fe.204) Al2 Si2 (O10 H4)'
_cell_length_a 13.714
_cell_length_b 20.079
_cell_length_c 5.105
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1405.730
_exptl_crystal_density_diffrn      2.881
_symmetry_space_group_name_H-M 'C c c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,1/2+y,1/2+z'
  '1/2-x,+y,1/2+z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg   0.00000   0.87540   0.75000   0.79600
Fe   0.00000   0.87540   0.75000   0.20400
Al1   0.19090   0.75000   0.75000   1.00000
Al2   0.00000   0.96140   0.25000   1.00000
Si   0.19350   0.87980   0.41720   1.00000
O-H1   0.09970   0.80990   0.87940   1.00000
O-H2   0.06840   0.96570   0.92760   1.00000
O1   0.20600   0.79970   0.43130   1.00000
O2   0.08030   0.89930   0.40990   1.00000
O3   0.24850   0.91290   0.67070   1.00000
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
Mg 0.01124 0.01205 0.00405 0.00000 0.00096 0.00000
Fe 0.01124 0.01205 0.00405 0.00000 0.00096 0.00000
Al1 0.01067 0.01021 0.00309 0.00000 0.00000 0.00062
Al2 0.00991 0.01123 0.00197 0.00000 -0.00043 0.00000
Si 0.00915 0.01021 0.00222 0.00056 0.00021 0.00036
O-H1 0.01458 0.01675 0.00883 0.00265 0.00000 0.00021
O-H2 0.01077 0.01246 0.00560 -0.00056 -0.00018 0.00021
O1 0.01382 0.00960 0.00434 0.00000 0.00089 0.00104
O2 0.01029 0.01348 0.00560 0.00167 -0.00011 0.00151
O3 0.01315 0.01389 0.00440 -0.00140 -0.00216 0.00005