data_global
_chemical_name_mineral 'Melanophlogite'
loop_
_publ_author_name
'Tribaudino M'
'Artoni A'
'Mavris C'
'Bersani D'
'Lottici P P'
'Belletti D'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 88
_journal_page_last 94
_publ_section_title
;
 Single-crystal X-ray and Raman investigation on melanophlogite from Varano
 Marchesi (Parma, Italy)
;
_database_code_amcsd 0004493
_chemical_compound_source 'Case Montanini, Varano Marchesi, Parma, Italy'
_chemical_formula_sum 'Si23 O46 C3.44'
_cell_length_a 13.399
_cell_length_b 13.399
_cell_length_c 13.399
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2405.565
_exptl_crystal_density_diffrn      1.965
_symmetry_space_group_name_H-M 'P m 3 n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,-x,y'
  '-y,z,-x'
  'x,-y,z'
  '-z,x,-y'
  'y,-z,x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2-z,1/2+y,1/2+x'
  '1/2+y,1/2-x,1/2-z'
  '1/2-x,1/2+z,1/2+y'
  '1/2+z,1/2-y,1/2-x'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2+z,1/2+y'
  '1/2-z,1/2-y,1/2-x'
  '1/2+y,1/2+x,1/2+z'
  '1/2-x,1/2-z,1/2-y'
  '1/2+z,1/2+y,1/2+x'
  '1/2-y,1/2-x,1/2-z'
  'z,x,-y'
  '-y,-z,x'
  'x,y,-z'
  '-z,-x,y'
  'y,z,-x'
  '-x,-y,z'
  '-z,x,y'
  'y,-z,-x'
  '-x,y,z'
  'z,-x,-y'
  '-y,z,x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2+z,1/2-y,1/2+x'
  '1/2-y,1/2+x,1/2-z'
  '1/2+x,1/2-z,1/2+y'
  '1/2-z,1/2+y,1/2-x'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2-z,1/2+y'
  '1/2+z,1/2+y,1/2-x'
  '1/2-y,1/2-x,1/2+z'
  '1/2+x,1/2+z,1/2-y'
  '1/2-z,1/2-y,1/2+x'
  '1/2+y,1/2+x,1/2-z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
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
Si1   0.00000   0.31079   0.11425   1.00000   0.03390
Si2   0.18264   0.18264   0.18264   1.00000   0.03060
Si3   0.25000   0.00000   0.50000   1.00000   0.02090
O1   0.09616   0.24660   0.13592   1.00000   0.07080
O2   0.00000   0.40601   0.18121   1.00000   0.08950
O3   0.34414   0.00000   0.00000   1.00000   0.04060
O4   0.25000   0.25000   0.25000   1.00000   0.09000
CH4-5   0.00000   0.00000   0.00000   0.71000   0.08200
CH4-56   0.50000   0.00000   0.25000   0.91000   0.30300
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
Si1 0.04270 0.02430 0.03480 0.00000 0.00000 -0.00660
Si2 0.03060 0.03060 0.03060 -0.00480 -0.00480 -0.00480
Si3 0.01770 0.02250 0.02250 0.00000 0.00000 0.00000
O1 0.06290 0.08280 0.06670 0.03190 -0.01010 0.01230
O2 0.16900 0.03870 0.06090 0.00000 0.00000 -0.03090
O3 0.03500 0.03520 0.05150 0.00000 0.00000 0.00000
O4 0.09040 0.09040 0.09040 -0.03700 -0.03700 -0.03700
CH4-5 0.08200 0.08200 0.08200 0.00000 0.00000 0.00000
CH4-56 0.36800 0.36800 0.17400 0.00000 0.00000 0.00000