data_global
_chemical_name_mineral 'Serandite'
loop_
_publ_author_name
'Williams E R'
'Weller M T'
_journal_name_full 'American Mineralogist'
_journal_volume 99 
_journal_year 2014
_journal_page_first 1755
_journal_page_last 1760
_publ_section_title
;
 A variable-temperature neutron diffraction study of serandite: A Mn-silicate
 framework with a very strong, two-proton site, hydrogen bond
 Note: T = 298 K
;
_database_code_amcsd 0020404
_chemical_compound_source 'Mont St. Hilaire, Quebec, Canada'
_chemical_formula_sum 'Mn1.942 Ca.058 Na Si3 O9 H'
_cell_length_a 7.70244
_cell_length_b 6.90030
_cell_length_c 6.74470
_cell_angle_alpha 90.4159
_cell_angle_beta 94.0442
_cell_angle_gamma 102.8006
_cell_volume 348.599
_exptl_crystal_density_diffrn      3.442
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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   0.84560   0.58840   0.13990   1.00000   0.00990
Mn2   0.85590   0.09030   0.13290   0.94200   0.01300
Ca2   0.85590   0.09030   0.13290   0.05800   0.01300
Na1   0.56400   0.25870   0.35780   1.00000   0.00960
Si1   0.21290   0.41240   0.35090   1.00000   0.00770
Si2   0.20370   0.94030   0.34680   1.00000   0.00770
Si3   0.45750   0.73930   0.14660   1.00000   0.00770
O1   0.66630   0.79410   0.11260   1.00000   0.01070
O2   0.32000   0.70580   0.94080   1.00000   0.01070
O3   0.17580   0.49550   0.55530   1.00000   0.01070
O4   0.15820   0.84040   0.56330   1.00000   0.01070
O5   0.06060   0.39480   0.16540   1.00000   0.01070
O6   0.05390   0.89050   0.17690   1.00000   0.01070
O7   0.40680   0.53600   0.27750   1.00000   0.01070
O8   0.39900   0.91140   0.28150   1.00000   0.01070
O9   0.26180   0.18730   0.38910   1.00000   0.01070
H16   0.14400   0.63300   0.54500   0.67000   0.03500
H17   0.16700   0.70400   0.52600   0.33000   0.03500