data_global
_chemical_name_mineral 'Sursassite'
loop_
_publ_author_name
'Mellini M'
'Merlino S'
'Pasero M'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 10 
_journal_year 1984
_journal_page_first 99
_journal_page_last 105
_publ_section_title
;
 X-ray and HRTEM study of sursassite: crystal structure,
 stacking disorder, and sursassite-pumpellyite intergrowth
;
_database_code_amcsd 0007356
_chemical_formula_sum 'Mn2.17 Al2.83 Si3 O14 H3'
_cell_length_a 8.70
_cell_length_b 5.79
_cell_length_c 9.78
_cell_angle_alpha 90
_cell_angle_beta 108.9
_cell_angle_gamma 90
_cell_volume 466.087
_exptl_crystal_density_diffrn      3.611
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
Mn1   0.16860   0.25000   0.31430   1.00000 ?
Mn2   0.26840   0.25000   0.67540   1.00000 ?
Al1   0.50000   0.00000   0.50000   0.93000 ?
Mn1   0.50000   0.00000   0.50000   0.07000 ?
Al2   0.50000   0.00000   0.00000   1.00000 ?
Al3   0.00000   0.50000   0.00000   0.90000 ?
Mn3   0.00000   0.50000   0.00000   0.10000 ?
Si1   0.30700   0.75000   0.19190   1.00000 ?
Si2   0.20660   0.75000   0.80780   1.00000 ?
Si3   0.15760   0.75000   0.49410   1.00000 ?
O1   0.26640   0.51460   0.50240   1.00000   0.00600
O2   0.19270   0.52510   0.16400   1.00000   0.00500
O3   0.31380   0.51640   0.83400   1.00000   0.00400
O4   0.41540   0.75000   0.08220   1.00000   0.00500
O5   0.44980   0.75000   0.35550   1.00000   0.00600
O6   0.08420   0.25000   0.93150   1.00000   0.00600
O7   0.43920   0.25000   0.36830   1.00000   0.01100
O8   0.07120   0.75000   0.89490   1.00000   0.00200
O9   0.09020   0.75000   0.63590   1.00000   0.00600
O10  -0.00550   0.75000   0.35710   1.00000   0.00800
O11   0.41330   0.25000   0.07350   1.00000   0.00500
H1   0.07650   0.25000  -0.13700   0.50000 ?
H1*   0.07850   0.25000   0.64340   0.50000 ?
H2   0.33450   0.25000   0.08630   0.50000 ?
H2*   0.18540   0.25000  -0.04700   0.50000 ?
H3   0.44230   0.25000   0.29920   0.50000 ?
H3*   0.34010   0.25000   0.18420   0.50000 ?
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
Mn1 0.02400 0.01000 0.01100 0.00000 0.00200 0.00000
Mn2 0.03400 0.00400 0.00600 0.00000 0.00400 0.00000
Al1 0.01300 0.00400 0.00500 0.00000 0.00200 0.00100
Mn1 0.01300 0.00400 0.00500 0.00000 0.00200 0.00100
Al2 0.00300 0.00200 0.00400 -0.00100 0.00200 0.00100
Al3 0.00600 0.00400 0.00600 -0.00100 0.00100 -0.00100
Mn3 0.00600 0.00400 0.00600 -0.00100 0.00100 -0.00100
Si1 0.00200 0.00300 0.00400 0.00000 0.00100 0.00000
Si2 0.00300 0.00200 0.00300 0.00000 0.00100 0.00000
Si3 0.01000 0.00400 0.00400 0.00000 0.00400 0.00000