#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/46/9004613.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_9004613
loop_
_publ_author_name
'Barbier, J.'
'Park, H.'
_publ_section_title
;
 Sr2B5O9OH.H2O, a synthetic borate related to hilgardite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              129
_journal_page_last               135
_journal_paper_doi               10.2113/gscanmin.39.1.129
_journal_volume                  39
_journal_year                    2001
_chemical_formula_structural     Sr2B5O9OH.H2O
_chemical_formula_sum            'B5 H2 O11 Sr2'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 127.860
_cell_angle_gamma                90
_cell_length_a                   10.2571
_cell_length_b                   8.0487
_cell_length_c                   6.4043
_cell_formula_units_Z            2
_cell_volume                     417.428
_database_code_amcsd             0005706
_exptl_crystal_density_diffrn    3.241
_cod_original_formula_sum        'Sr2 B5 O11 H2'
_cod_database_code               9004613
_amcsd_formula_title             Sr2B5O9OH.H2O
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
-x,y,-z
1/2-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr 0.20462 0.04088 0.91489 0.00867
B1 0.57390 0.32600 0.25380 0.00610
B2 0.50000 0.15930 0.50000 0.00630
B3 0.26770 0.07300 0.50850 0.00610
O1 0.64390 0.05180 0.58500 0.00730
O2 0.14640 0.96620 0.45290 0.00850
O3 0.55360 0.25150 0.73710 0.00670
O4 0.50000 0.40430 0.00000 0.00680
O5 0.29970 0.20200 0.67580 0.00880
O6 0.43290 0.81540 0.10890 0.01500
H 0.52600 0.82100 0.28900 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005706
