#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/92/9009261.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_9009261
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              101
_journal_page_last               116
_journal_volume                  162
_journal_year                    1990
_chemical_formula_sum            'B Be2 H3 O5'
_chemical_name_mineral           Berborite
_space_group_IT_number           158
_symmetry_space_group_name_Hall  'P 3 -2"c'
_symmetry_space_group_name_H-M   'P 3 c 1'
_cell_length_a                   4.431
_cell_length_b                   4.431
_cell_length_c                   10.663
_cell_volume                     181.307
_[local]_cod_chemical_formula_sum_orig 'Be2 B O5 H3'
_cod_database_code               9009261
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,1/2+z
-y,x-y,z
x,x-y,1/2+z
-x+y,-x,z
-x+y,y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
BeA 0.66667 0.33333 0.30390
BeB 0.33333 0.66667 0.20110
B 0.00000 0.00000 0.25000
O1 0.30890 0.00000 0.25000
