#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/13/1511388.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_1511388
loop_
_publ_author_name
'Schleid, T.'
'Tiritiris, I.'
_publ_section_title
;
 Dodekahydro-closo-dodekaborate der schweren Erdalkalimetalle aus
 waessriger Loesung: Ca (H2 O)7 (B12 H12) * (H2 O), Sr (H2 O)8 (B12 H12)
 und Ba (H2 O)6 (B12 H12)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1836
_journal_page_last               1845
_journal_paper_doi
10.1002/1521-3749(200108)627:8<1836::AID-ZAAC1836>3.0.CO;2-A
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'B12 H12 O8 Sr'
_chemical_name_systematic        'Sr (B12 H12) (H2 O)8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.1271
_cell_length_b                   10.1271
_cell_length_c                   14.6294
_cell_volume                     1299.354
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_531.cif
_cod_data_source_block           B12H12O8Sr1
_cod_original_formula_sum        'B12 H12 O8 Sr1'
_cod_database_code               1511388
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
B1 B 0.0295 0.1126 0.408 1 0.0
O2 O-2 0.2738 0.0806 0.0633 1 0.0
H2 H-1 0.071 0.298 0.536 1 0.0
B2 B 0.0474 0.1826 0.5217 1 0.0
H1 H-1 0.048 0.181 0.348 1 0.0
Sr1 Sr+2 0 0 0 1 0.0
O1 O-2 0 0 0.1769 1 0.0
