#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014044.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_9014044
loop_
_publ_author_name
'Touboul, M.'
'Penin, N.'
'Nowogrocki, G.'
_publ_section_title
;
 Crystal structure and thermal behavior of Cs2 (B4 O5 (O H)4)3 H2 O
 _cod_database_code 1004144
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              260
_journal_page_last               265
_journal_paper_doi               10.1006/jssc.1998.8104
_journal_volume                  143
_journal_year                    1999
_chemical_formula_sum            'B2 Cs H5 O6'
_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                 92.06
_cell_angle_gamma                90
_cell_length_a                   8.424
_cell_length_b                   11.378
_cell_length_c                   13.160
_cell_formula_units_Z            8
_cell_volume                     1260.548
_database_code_amcsd             0013970
_exptl_crystal_density_diffrn    2.693
_cod_duplicate_entry             1004144
_cod_original_formula_sum        'Cs B2 O6 H5'
_cod_database_code               9014044
_amcsd_formula_title             'B4 Cs2 H10 O12'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cs1 0.26745 0.05555 0.48032
Cs2 0.45359 0.58447 0.35863
B1 -0.12920 0.87960 0.07770
B2 0.10220 0.65550 0.19720
B3 0.10480 0.86830 0.19850
B4 -0.13840 0.76910 0.23600
O1 -0.20580 0.92370 -0.00850
O2 0.02730 0.90440 0.09750
O3 -0.21820 0.81380 0.14070
O4 0.18350 0.55090 0.19290
O5 0.18820 0.75560 0.18580
O6 -0.26170 0.74900 0.30850
O7 -0.05650 0.65600 0.21480
O8 -0.02050 0.85450 0.27200
O9 0.22140 0.95530 0.22820
O10 0.52110 0.39460 0.15400
O11 0.46590 0.78740 0.07140
O12 0.93600 0.32560 0.02930
H1 0.17800 0.01900 0.23700
H2 -0.15000 0.95000 -0.04000
H3 -0.21900 0.70100 0.35400
H4 0.13400 0.51300 0.20100
H5 0.60100 0.37500 0.19200
H6 0.44200 0.36200 0.17900
H7 0.55300 0.79000 0.11900
H8 0.38800 0.77300 0.11000
H9 0.84700 0.28700 0.03200
H10 0.93300 0.31700 0.09200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013970
