#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016135.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_9016135
loop_
_publ_author_name
'Demartin, F.'
'Gramaccioli, C. M.'
'Campostrini, I.'
_publ_section_title
;
 Clinometaborite, natural beta-metaboric acid,
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1273
_journal_page_last               1279
_journal_paper_doi               10.3749/canmin.49.5.1273
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source
'La Fossa Crater, Vulcano, Aeolian Islands, Italy'
_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                 93.21
_cell_angle_gamma                90
_cell_length_a                   7.127
_cell_length_b                   8.842
_cell_length_c                   6.773
_cell_formula_units_Z            12
_cell_volume                     426.144
_database_code_amcsd             0018577
_exptl_crystal_density_diffrn    2.049
_cod_original_formula_sum        'B O2 H'
_cod_database_code               9016135
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
_atom_site_U_iso_or_equiv
B1 0.23416 -0.04313 0.83071 0.01490
B2 0.26124 0.21091 0.97679 0.01420
B3 0.40077 0.16241 0.67183 0.01460
O1 0.21653 0.06075 0.99463 0.01480
O2 0.35331 0.26191 0.81577 0.01930
O3 0.35674 0.01313 0.68317 0.01740
O4 0.28810 -0.19372 0.87931 0.01780
O5 0.03355 -0.04735 0.72342 0.01840
O6 0.49777 0.21595 0.51815 0.02020
H1 0.01200 -0.13000 0.65000 0.05400
H2 -0.06800 -0.04800 0.80900 0.06800
H3 0.53400 0.13600 0.44300 0.03500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018577
