data_9008309
_chemical_name 'Melanophlogite'
loop_
_publ_author_name
'Gies H'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 164
_journal_year 1983
_journal_page_first 247
_journal_page_last 257
_publ_section_title
;
 Studies on clathrasils. III. Crystal structure of
 melanophlogite, a natural clathrate compound of silica
;
_chemical_formula_sum 'N2.34 C1.66 Si23 O46'
_cell_length_a 13.436
_cell_length_b 13.436
_cell_length_c 13.436
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2425.549
_symmetry_space_group_name_H-M 'P m 3 n'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
N56   0.25000   0.50000   0.00000   0.78000 ?
C56   0.25000   0.50000   0.00000   0.22000 ?
C5   0.00000   0.00000   0.00000   1.00000 ?
Si1   0.00000   0.30980   0.11420   1.00000   0.02167
Si2   0.18260   0.18260   0.18260   1.00000   0.02180
Si3   0.25000   0.00000   0.50000   1.00000   0.01810
O1   0.09630   0.24650   0.13600   1.00000   0.06183
O2   0.00000   0.40560   0.18130   1.00000   0.06054
O3   0.34230   0.00000   0.00000   1.00000   0.03497
O4   0.25000   0.25000   0.25000   1.00000   0.07360