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#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528665.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_1528665
loop_
_publ_author_name
'Abraham, I.'
'Benoit, D.M.'
'Demetriou, D.Z.'
'Mustarde, K.'
'Vordemvenne, E.'
_publ_section_title
;
 Lone pair effects in trihalo-stannate and -plumbate anions in the crystal
 structures of Sr(MX3)(2) center dot 5H(2)O(M = Sn, X = Cl, Br; M = Pb, X
 = Br)
;
_journal_name_full               ' Polyhedron '
_journal_page_first              996
_journal_page_last               1002
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'Cl6 H10 O5 Pb2 Sr'
_chemical_name_systematic        'Sr (Pb Cl3)2 (H2 O)5'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.41
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.071
_cell_length_b                   11.813
_cell_length_c                   13.659
_cell_volume                     1434.714
_citation_journal_id_ASTM        PLYHDE
_cod_data_source_file            Abraham_PLYHDE_2006_728.cif
_cod_data_source_block           H10Cl6O5Pb2Sr1
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_formula_sum        'H10 Cl6 O5 Pb2 Sr1'
_cod_database_code               1528665
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
-x,-y,-z
x-1/2,-y,z
x+1/2,y+1/2,z+1/2
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x,-y+1/2,z+1/2
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
_atom_site_attached_hydrogens
O3 O-2 0.25 0.26971 0.5 1 0.0 2
Sr1 Sr+2 0.25 0.48157 0.5 1 0.0 0
Pb1 Pb+2 0.18694 0.60297 0.13567 1 0.0 0
O1 O-2 0.12453 0.42441 0.33303 1 0.0 2
Cl2 Cl-1 0.0398 0.63364 -0.05869 1 0.0 0
O2 O-2 -0.02281 0.59825 0.43257 1 0.0 2
Cl1 Cl-1 -0.09067 0.61273 0.19586 1 0.0 0
Cl3 Cl-1 0.18844 0.83329 0.14638 1 0.0 0
