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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106558.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_2106558
loop_
_publ_author_name
'Menchetti, S.'
'Sabelli, C.'
_publ_section_title
;
 The crystal structure of Na2 (B4 O6 (O H)2)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1080
_journal_page_last               1084
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'B4 H2 Na2 O8'
_chemical_name_systematic        'Na2 (B4 O6 (O H)2)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.54
_cell_length_b                   10.263
_cell_length_c                   14.547
_cell_volume                     1274.987
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Menchetti_ACBCAR_1978_396.cif
_cod_data_source_block           H2B4Na2O8
_cod_original_formula_sum        'H2 B4 Na2 O8'
_cod_database_code               2106558
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.4836 0.3315 0.2373 1 0.0
O2 O-2 0.7488 0.3179 0.1819 1 0.0
Na1 Na+1 0.9187 0.5444 0.32 1 0.0
O3 O-2 0.5657 0.1405 0.1526 1 0.0
O4 O-2 0.5458 0.3523 0.0774 1 0.0
H2 H+1 0.354 0.296 -0.097 1 0.0
O5 O-2 0.2974 0.1686 0.1964 1 0.0
B1 B+3 0.5862 0.2802 0.1623 1 0.0
O8 O-2 0.4164 0.352 -0.0665 1 0.0
H1 H+1 0.413 -0.077 0.016 1 0.0
Na2 Na+1 0.7931 0.4834 0.0607 1 0.0
B4 B+3 0.4462 0.2938 0.018 1 0.0
O6 O-2 0.3721 0.1794 0.0365 1 0.0
O7 O-2 0.3682 -0.0217 0.1089 1 0.0
B2 B+3 0.4055 0.1156 0.1242 1 0.0
B3 B+3 0.3411 0.272 0.2491 1 0.0
