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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/9/9000459.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_9000459
_chemical_name 'Ameghinite'
loop_
_publ_author_name
'Dal Negro A'
'Pozas J M M'
'Ungaretti L'
_journal_name_full "American Mineralogist"
_journal_volume 60
_journal_year 1975
_journal_page_first 879
_journal_page_last 883
_publ_section_title
;
 The crystal structure of ameghinite
;
_chemical_formula_sum 'Na B3 O7 H4'
_cell_length_a 18.428
_cell_length_b 9.882
_cell_length_c 6.326
_cell_angle_alpha 90
_cell_angle_beta 104.4
_cell_angle_gamma 90
_cell_volume 1115.807
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Na   0.17300   0.23800   0.10320   0.02077
B1   0.34120   0.17160   0.44140   0.01355
B2   0.40280   0.39870   0.49590   0.01444
B3   0.47780   0.19940   0.48280   0.01418
O-h1   0.54940   0.15750   0.49640   0.02052
O-h2   0.30110   0.16060   0.21500   0.01634
O-h3   0.30580   0.10160   0.59290   0.01710
O-h4   0.39860   0.53520   0.51640   0.02039
O5   0.47010   0.34010   0.48120   0.01874
O6   0.34370   0.31960   0.49900   0.01900
O7   0.41940   0.11770   0.48000   0.01596
H1   0.56100   0.05900   0.50500   0.03800
H2   0.30300   0.06500   0.17100   0.03800
H3   0.25200   0.13000   0.56000   0.03800
H4   0.44700   0.58100   0.51700   0.03800