#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000135.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_9000135
_chemical_name 'Reedmergnerite'
loop_
_publ_author_name
'Appleman D E'
'Clark J R'
_journal_name_full "American Mineralogist"
_journal_volume 50
_journal_year 1965
_journal_page_first 1827
_journal_page_last 1850
_publ_section_title
;
 Crystal structure of reedmergnerite, a boron albite, and its relation to
 feldspar crystal chemistry
;
_chemical_formula_sum 'Na B Si3 O8'
_cell_length_a 7.833
_cell_length_b 12.360
_cell_length_c 6.803
_cell_angle_alpha 93.308
_cell_angle_beta 116.352
_cell_angle_gamma 92.055
_cell_volume 587.819
_symmetry_space_group_name_H-M 'C -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,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   0.25860   0.00750   0.13320   0.01545
B1o   0.01270   0.16170   0.22170   0.00481
Si1m   0.00590   0.81000   0.20970   0.00355
Si2o   0.70290   0.10150   0.32040   0.00393
Si2m   0.68470   0.86440   0.35470   0.00393
OA1   0.00760   0.13640   0.00400   0.00709
OA2   0.59290   0.98120   0.27580   0.00697
OBo   0.84550   0.09950   0.21260   0.00887
OBm   0.81630   0.83470   0.23350   0.00899
OCo   0.00640   0.27620   0.27250   0.00836
OCm   0.02890   0.67990   0.20700   0.00937
ODo   0.19000   0.12000   0.38150   0.00836
ODm   0.19220   0.86820   0.41720   0.00798