data_global
_chemical_name_mineral 'Osumilite'
loop_
_publ_author_name
'Balassone G'
'Mormone A'
'Rossi M'
'Bernardi A'
'Fisch M'
'Armbruster T'
'Malsy K'
'Berger A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 20 
_journal_year 2008
_journal_page_first 713
_journal_page_last 720
_publ_section_title
;
 Crystal chemical and structural characterization of an Mg-rich osumilite from
 Vesuvius volcano (Italy)
;
_database_code_amcsd 0007263
_chemical_compound_source 'Vesuvius volcano, Italy'
_chemical_formula_sum 'K.811 Na.052 Al2.901 Fe.113 Mg1.986 Si12 O30'
_cell_length_a 10.0946
_cell_length_b 10.0946
_cell_length_c 14.3311
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1264.702
_exptl_crystal_density_diffrn      2.581
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-y,1/2-z'
  '-x,-y,-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
KC   0.00000   0.00000   0.25000   0.81100   0.03110
NaB*   0.66667   0.33333   0.01800   0.01300   0.01000
AlT2   0.50000   0.00000   0.75000   0.96700   0.01000
FeT2   0.50000   0.00000   0.75000   0.03300   0.01000
FeA   0.66667   0.33333   0.25000   0.00700   0.00760
MgA   0.66667   0.33333   0.25000   0.99300   0.00760
SiT1   0.89434   0.24754   0.10800   1.00000   0.00931
O1   0.87700   0.28390   0.00000   1.00000   0.01970
O2   0.78301   0.06764   0.13184   1.00000   0.02410
O3   0.85950   0.35319   0.17868   1.00000   0.01390
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
KC 0.03030 0.03030 0.03260 0.01520 0.00000 0.00000
AlT2 0.00550 0.01400 0.00770 0.00273 0.00000 0.00000
FeT2 0.00550 0.01400 0.00770 0.00273 0.00000 0.00000
FeA 0.00700 0.00700 0.00890 0.00350 0.00000 0.00000
MgA 0.00700 0.00700 0.00890 0.00350 0.00000 0.00000
SiT1 0.00910 0.00980 0.00770 0.00369 -0.00004 -0.00140
O1 0.02750 0.02680 0.00810 0.01590 0.00000 0.00000
O2 0.02680 0.01300 0.02370 0.00330 -0.00050 -0.00230
O3 0.01570 0.01290 0.01160 0.00600 0.00280 -0.00160