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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106391.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_2106391
loop_
_publ_author_name
'Menchetti, S.'
'Sabelli, C.'
_publ_section_title
;
 The crystal structure of Na B5 O6 (O H)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              45
_journal_page_last               49
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'B5 H4 Na O10'
_chemical_name_systematic        'Na B5 O6 (O H)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.77
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.701
_cell_length_b                   8.067
_cell_length_c                   12.977
_cell_volume                     872.130
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Menchetti_ACBCAR_1978_818.cif
_cod_data_source_block           H4B5Na1O10
_cod_original_cell_volume        872.1297
_cod_original_formula_sum        'H4 B5 Na1 O10'
_cod_database_code               2106391
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
O6 O-2 0.0978 0.3515 0.6411 1 0.0
O3 O-2 0.1758 0.3693 0.366 1 0.0
B3 B+3 0.2339 0.2823 0.4689 1 0.0
O1 O-2 0.42 0.316 0.3225 1 0.0
Na1 Na+1 0.0787 0.7601 0.2362 1 0.0
O4 O-2 0.0981 0.1866 0.4872 1 0.0
B2 B+3 0.4524 0.185 0.3957 1 0.0
O2 O-2 0.3595 0.1603 0.4631 1 0.0
H2 H+1 -0.1 0.04 0.56 1 0.0
O10 O-2 0.5759 0.0859 0.3947 1 0.0
B5 B+3 0.0383 0.2218 0.5709 1 0.0
O8 O-2 -0.0816 0.1345 0.593 1 0.0
O7 O-2 0.2789 0.5656 0.7009 1 0.0
B4 B+3 0.2291 0.4383 0.6306 1 0.0
O5 O-2 0.3017 0.3982 0.5556 1 0.0
H1 H+1 0.38 0.6 0.705 1 0.0
O9 O-2 0.2432 0.5328 0.237 1 0.0
H4 H+1 0.595 0 0.445 1 0.0
H3 H+1 0.31 0.54 0.2 1 0.0
B1 B+3 0.2816 0.4061 0.3103 1 0.0
