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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530805.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1530805
loop_
_publ_author_name
'Solntsev, K.A.'
'Kuznetsov, N.T.'
'Rannev, N.V.'
'Zavodnik, V.E.'
_publ_section_title
;
 Crystal structure and physicochemical properties of Sr B12 H12 (H2 O)7
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1366
_journal_page_last               1369
_journal_volume                  232
_journal_year                    1977
_chemical_formula_sum            'B12 H26 O7 Sr'
_chemical_name_systematic        'Sr (B12 H12) (H2 O)7'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                83.4
_cell_angle_beta                 83.4
_cell_angle_gamma                83.4
_cell_formula_units_Z            1
_cell_length_a                   7.594
_cell_length_b                   7.594
_cell_length_c                   7.594
_cell_volume                     429.849
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Solntsev_DANKAS_1977_117.cif
_cod_data_source_block           H26B12O7Sr1
_cod_original_cell_volume        429.8493
_cod_original_sg_symbol_Hall     'R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H26 B12 O7 Sr1'
_cod_database_code               1530805
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O3 O-2 0.822 0.822 0.822 1 0.0
O2 O-2 0.14 0.021 0.656 1 0.0
B2 B 0.658 0.429 0.342 1 0.0
B1 B 0.512 0.706 0.561 1 0.0
O1 O-2 0.882 0.987 0.334 1 0.0
Sr1 Sr+2 0 0 0 1 0.0
B4 B 0.497 0.29 0.429 1 0.0
B3 B 0.336 0.569 0.659 1 0.0
