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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/2/10/71/2107103.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_2107103
loop_
_publ_author_name
'Menchetti, S.'
'Sabelli, C.'
_publ_section_title
;
 Structure of Hydrated Sodium Borate Na2 (B O2 (O H))
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1282
_journal_page_last               1285
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'B H Na2 O3'
_chemical_name_systematic        'Na2 (B O2 (O H))'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.627
_cell_length_b                   3.512
_cell_length_c                   9.863
_cell_volume                     298.829
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Menchetti_ACBCAR_1982_1718.cif
_cod_data_source_block           H1B1Na2O3
_cod_original_cell_volume        298.8294
_cod_original_formula_sum        'H1 B1 Na2 O3'
_cod_database_code               2107103
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Na2 Na+1 0.3281 0.75 0.4469 1 0.0
O3 O-2 -0.0048 0.25 0.1633 1 0.0
O2 O-2 0.2689 0.25 0.1678 1 0.0
O1 O-2 0.1277 0.25 0.378 1 0.0
Na1 Na+1 0.42775 0.75 0.10348 1 0.0
B1 B+3 0.1365 0.25 0.2409 1 0.0
H1 H+1 0.408 0.25 0.273 1 0.0
