#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/58/9015871.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_9015871
loop_
_publ_author_name
'Zachariasen, W. H.'
_publ_section_title
;
 The crystal structure of monoclinic metaboric acid
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              385
_journal_page_last               389
_journal_paper_doi               10.1107/S0365110X6300102X
_journal_volume                  16
_journal_year                    1963
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B H O2'
_chemical_name_mineral           Clinometaborite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.26
_cell_angle_gamma                90
_cell_length_a                   7.122
_cell_length_b                   8.842
_cell_length_c                   6.771
_cell_formula_units_Z            12
_cell_volume                     425.698
_database_code_amcsd             0018978
_exptl_crystal_density_diffrn    2.051
_cod_original_formula_sum        'B O2 H'
_cod_database_code               9015871
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
B1 0.26180 0.28910 0.47800
B2 0.40150 0.33830 0.17140
B3 0.23240 0.54220 0.32950
O1 0.21210 0.19390 0.62080
O2 0.21600 0.43900 0.49450
O3 0.35380 0.23790 0.31590
O4 0.35570 0.48660 0.18240
O5 0.49790 0.28380 0.01800
O6 0.03330 0.54670 0.22370
H1 0.02000 0.62000 0.15100
H2 0.54700 0.35700 0.94900
H3 0.93300 0.55200 0.34200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018978
