#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012837.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_9012837
loop_
_publ_author_name
'Ozol, Y.'
'Vimba, S.'
'Ievins, A.'
_publ_section_title
;
 The crystal structure of calcium monoborate Ca[B(OH)4]2*2H2O
 Locality: synthetic
;
_journal_name_full               'Soviet Physics'
_journal_page_first              22
_journal_page_last               25
_journal_volume                  9
_journal_year                    1964
_chemical_formula_sum            'B2 Ca H12 O10'
_chemical_name_mineral           Hexahydroborite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.80
_cell_angle_gamma                90
_cell_length_a                   7.9997
_cell_length_b                   6.7260
_cell_length_c                   7.9693
_cell_volume                     416.418
_[local]_cod_data_source_file    12946.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Ca B2 O10 H12'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca 0.00000 -0.02500 0.25000
B 0.18300 0.27500 0.06700
O-H1 0.00000 0.21700 0.02100
O-H2 0.26700 0.11700 0.18800
O-H3 0.23300 0.26700 -0.10400
O-H4 0.21700 0.47900 0.13300
Wat5 0.42500 0.19200 0.55800