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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000135.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000135
loop_
_publ_author_name
'Appleman, D. E.'
'Clark, J. R.'
_publ_section_title
;
 Crystal structure of reedmergnerite, a boron albite, and its relation to
 feldspar crystal chemistry
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1827
_journal_page_last               1850
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.308
_cell_angle_beta                 116.352
_cell_angle_gamma                92.055
_cell_length_a                   7.833
_cell_length_b                   12.360
_cell_length_c                   6.803
_cell_volume                     587.819
_exptl_crystal_density_diffrn    2.780
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9000135
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_U_iso_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