data_global
_chemical_name_mineral 'Sursassite'
loop_
_publ_author_name
'Hatert F'
'Fransolet A M'
'Wouters J'
'Bernhardt H J'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 20 
_journal_year 2008
_journal_page_first 993
_journal_page_last 998
_publ_section_title
;
 The crystal structure of sursassite from the Lienne Valley,
 Stavelot Massif, Belgium
;
_database_code_amcsd 0007270
_chemical_compound_source 'Lienne syncline, Stravelot Massif, Belgium'
_chemical_formula_sum 'Mn1.9 Ca.21 Al2.89 Si3 O14 H3'
_cell_length_a 8.697
_cell_length_b 5.787
_cell_length_c 9.769
_cell_angle_alpha 90
_cell_angle_beta 108.91
_cell_angle_gamma 90
_cell_volume 465.133
_exptl_crystal_density_diffrn      3.585
_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
MnMn1   0.16750   0.25000   0.31370   0.79000   0.01470
CaMn1   0.16750   0.25000   0.31370   0.21000   0.01470
Mn2   0.26750   0.25000   0.67500   1.00000   0.01870
AlAl1   0.50000   0.00000   0.50000   0.89000   0.01160
MnAl1   0.50000   0.00000   0.50000   0.11000   0.01160
Al2   0.50000   0.00000   0.00000   1.00000   0.00980
Al3   0.00000   0.50000   0.00000   1.00000   0.00840
Si1   0.30740   0.75000   0.19250   1.00000   0.00880
Si2   0.20670   0.75000   0.80760   1.00000   0.00910
Si3   0.15570   0.75000   0.49370   1.00000   0.01140
O1   0.26460   0.51340   0.50190   1.00000   0.01450
O2   0.19120   0.52370   0.16430   1.00000   0.01060
O3   0.31390   0.51680   0.83330   1.00000   0.01280
O4   0.41490   0.75000   0.08210   1.00000   0.00920
O5   0.44910   0.75000   0.35380   1.00000   0.01170
O6   0.08430   0.25000   0.92920   0.50000   0.01130
O-H6   0.08430   0.25000   0.92920   0.50000   0.01130
O7   0.43850   0.25000   0.36720   0.50000   0.01250
O-H7   0.43850   0.25000   0.36720   0.50000   0.01250
O8   0.07120   0.75000   0.89390   1.00000   0.01020
O9   0.09190   0.75000   0.63720   1.00000   0.01040
O-H10  -0.00850   0.75000   0.35680   1.00000   0.01700
O-H11   0.41080   0.25000   0.07420   1.00000   0.01210