#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/06/2000657.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2000657
loop_
_publ_author_name
'Alekel, T.'
'Keszler, D. A.'
_publ_section_title
;
 Structure of Sr₅(BO₃)₃Cl
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1382
_journal_page_last               1386
_journal_paper_doi               10.1107/S0108270192000507
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'B3 Cl O9 Sr5'
_chemical_formula_weight         649.98
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.000(2)
_cell_length_b                   14.202(2)
_cell_length_c                   7.4210(10)
_cell_volume                     1053.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    24.7
_exptl_crystal_density_diffrn    4.096
_exptl_crystal_F_000             1176
_cod_data_source_file            hh0561.cif
_cod_data_source_block           hh0561a
_cod_original_formula_sum        'B3 Cl1 O9 Sr5'
_cod_database_code               2000657
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr1 .7605(2) .0 .0
Sr2 .13270(10) .87145(9) .93710(10)
Sr3 .5 .86510(10) .75
Sr4 .5 .13850(10) .75
Cl .0 .0532(3) .75
O1 .5080(10) .0 .0
O2 .6712(8) .8089(7) .0090(10)
O3 .3553(8) .8007(7) .9860(10)
O4 .6969(8) .0005(9) .3370(10)
O5 .8817(9) .8528(6) .883(2)
B1 .8020(10) .7890(10) .969(2)
B2 .374(2) .0 .0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sr1 Cl 3.123(2)
Sr1 O1 2.530(10)
Sr1 O2 2.858(9)
Sr1 O4 2.578(8)
Sr1 O5 2.567(9)
Sr2 Cl 3.218(4)
Sr2 Cl 2.881(2)
Sr2 O2 2.620(10)
Sr2 O3 2.469(9)
Sr2 O4 2.600(10)
Sr2 O5 2.556(9)
Sr2 O5 2.397(9)
Sr3 O1 2.6690(10)
Sr3 O2 2.700(10)
Sr3 O3 2.451(9)
Sr3 O4 2.820(10)
Sr4 O1 2.705(2)
Sr4 O2 2.586(9)
Sr4 O3 2.580(10)
Sr4 O4 2.860(10)
B1 O2 1.37(2)
B1 O3 1.42(2)
B1 O5 1.36(2)
B2 O1 1.34(2)
B2 O4 1.40(2)
