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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002347.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9002347
_chemical_name 'Serandite'
loop_
_publ_author_name
'Jacobsen S D'
'Smyth J R'
'Swope R J'
'Sheldon R I'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 745
_journal_page_last 752
_publ_section_title
;
 Two proton positions in the very strong hydrogen bond of serandite,
 NaMn2[Si3O8(OH)]
 Sample: neutron
;
_chemical_formula_sum 'Na Mn1.924 Si3 H O9'
_cell_length_a 7.7163
_cell_length_b 6.9116
_cell_length_c 6.7368
_cell_angle_alpha 90.465
_cell_angle_beta 94.037
_cell_angle_gamma 102.844
_cell_volume 349.324
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Na   0.55570   0.25530   0.35290   1.00000 ?
Mn1   0.85310   0.59450   0.13490   0.94100 ?
Mn2   0.84910   0.08400   0.13290   0.98300 ?
Si1   0.21510   0.40170   0.34240   1.00000 ?
Si2   0.20590   0.95110   0.35120   1.00000 ?
Si3   0.45430   0.73700   0.14280   1.00000 ?
H1   0.14820   0.63740   0.54980   0.84200 ?
H2   0.15180   0.68720   0.54830   0.15800   0.01500
O1   0.66430   0.79430   0.11380   1.00000 ?
O2   0.32260   0.70650   0.94350   1.00000 ?
O3   0.17880   0.49260   0.55540   1.00000 ?
O4   0.15980   0.84430   0.55720   1.00000 ?
O5   0.06140   0.39120   0.16710   1.00000 ?
O6   0.05190   0.89120   0.17240   1.00000 ?
O7   0.40710   0.53350   0.27720   1.00000 ?
O8   0.39720   0.90670   0.28660   1.00000 ?
O9   0.25930   0.18880   0.39310   1.00000 ?