#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/13/1011356.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_1011356
loop_
_publ_author_name
'Jensen, A T'
_publ_section_title              'On the structure of Sr Cl2 (H2 O)6'
_journal_coden_ASTM              KDVSAK
_journal_name_full
;
Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser
;
_journal_page_first              1
_journal_page_last               27
_journal_volume                  17
_journal_year                    1940
_chemical_formula_structural     'Sr Cl2 (H2 O)6'
_chemical_formula_sum            'Cl2 H12 O6 Sr'
_chemical_name_mineral           'Antarcticite (Sr)'
_chemical_name_systematic        'Strontium chloride hexahydrate'
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.94
_cell_length_b                   7.94
_cell_length_c                   4.108
_cell_volume                     224.3
_cod_original_formula_sum        'H12 Cl2 O6 Sr'
_cod_database_code               1011356
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,-z
-x,y-x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sr1 Sr2+ 1 a 0. 0. 0. 1. 0 d
Cl1 Cl1- 2 d 0.3333 0.6666 0.42 1. 0 d
O1 O2- 3 e 0.3333 0. 0. 1. 0 d
O2 O2- 3 f 0.24 0. 0.5 1. 0 d
H1 H1+ 6 g -1. -1. -1. 2. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Cl1- -1.000
O2- -2.000
H1+ 1.000
