data_global
_chemical_name_mineral 'Sursassite'
loop_
_publ_author_name
'Nagashima M'
'Akasaka M'
'Minakawa T'
'Libowitzky E'
'Armbruster T'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 1440
_journal_page_last 1449
_publ_section_title
;
 Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth
 Sample Number: 6
;
_database_code_amcsd 0004991
_chemical_compound_source 'Molinello, Italy'
_chemical_formula_sum 'Mn2 Al3 Si3 O14 H3'
_cell_length_a 8.716
_cell_length_b 5.799
_cell_length_c 9.794
_cell_angle_alpha 90
_cell_angle_beta 108.985
_cell_angle_gamma 90
_cell_volume 468.101
_exptl_crystal_density_diffrn      3.562
_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
Mn1   0.16990   0.25000   0.31320
Mn2   0.27160   0.25000   0.67530
Al1   0.50000   0.00000   0.50000
Al2   0.50000   0.00000   0.00000
Al3   0.00000   0.50000   0.00000
Si1   0.30720   0.75000   0.19190
Si2   0.20640   0.75000   0.80760
Si3   0.15450   0.75000   0.49450
O1   0.26170   0.51400   0.50150
O2   0.19120   0.52500   0.16390
O3   0.31340   0.52100   0.83280
O4   0.41400   0.75000   0.08050
O5   0.44800   0.75000   0.35100
O-H6   0.08500   0.25000   0.92880
O-H7   0.43800   0.25000   0.36950
O8   0.07320   0.75000   0.89390
O9   0.09010   0.75000   0.63760
O10  -0.00800   0.75000   0.35680
O-H11   0.41300   0.25000   0.07230