#------------------------------------------------------------------------------
#$Date: 2012-02-28 15:44:07 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000284.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_9000284
loop_
_publ_author_name
'Fang, J. H.'
'Robinson, P. D.'
'Ohya, Y.'
_publ_section_title
;
 Redetermination of the crystal structure of eudidymite and its dimorphic
 relationship to epididymite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1345
_journal_page_last               1354
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Be H Na O8 Si3'
_chemical_name_mineral           Eudidymite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.72
_cell_angle_gamma                90
_cell_length_a                   12.63
_cell_length_b                   7.38
_cell_length_c                   14.02
_cell_volume                     1269.508
_exptl_crystal_density_diffrn    2.566
_[local]_cod_chemical_formula_sum_orig 'Na Be Si3 O8 H'
_cod_database_code               9000284
_amcsd_database_code             AMCSD#0000292
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_U_iso_or_equiv
Na 0.02870 0.34050 0.92820 0.03255
Be 0.16770 0.32280 0.49690 0.01368
Si1 0.20380 0.01990 0.64160 0.00963
Si2 0.25180 0.10270 0.86650 0.00988
Si3 0.02970 0.09330 0.36180 0.01039
O1 0.07320 0.03290 0.62660 0.01355
O2 0.24010 0.18000 0.11520 0.01887
O3 0.24100 0.16500 0.57150 0.01507
O4 0.23680 0.43920 0.24470 0.02090
O5 0.15490 0.49840 0.05580 0.01469
O6 0.12920 0.05190 0.87550 0.01418
O7 0.00000 0.17320 0.25000 0.01912
O8 0.05260 0.25610 0.43730 0.01659
Wat 0.00000 0.43220 0.75000 0.03838