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#$Date: 2008-04-05 09:13:02 +0100 (Sat, 05 Apr 2008) $
#$Revision: 340 $
#$URL: svn://www.crystallography.net/cod/cif/2/2101363.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2101363
loop_
_publ_author_name
'Artioli, G.'
'Rinaldi, R.'
'Wilson, C. C.'
'Zanazzi, P. F.'
_publ_section_title
;
 Single-crystal pulsed neutron diffraction of a highly hydrous beryl
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              733
_journal_page_last               737
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'H2 Al2 Be3 Na1 O19 Si6'
_chemical_formula_weight         578.51
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   9.278(2)
_cell_length_b                   9.278(2)
_cell_length_c                   9.195(2)
_cell_volume                     685.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_[local]_cod_data_source_file    na0059.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si .3860(5) .1123(6) .0 .0062
Be .5 .0 .25 .0078
Al .6667 .3333 .25 0.0095
O1 .3045(4) .2300(5) .0 .0126
O2 .4956(3) .1421(3) .1451(2) .0087
O3 .0 .0 .25 .0236
H1 .0 .0 .146(4) .0273
H2 .0 .097 .255 .0273
Na .0 .0 .0 .0213