#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/98/9009804.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9009804
loop_
_publ_author_name
'Schnering, H. G.'
'Nesper, R.'
'Pelshenke, H.'
_publ_section_title
;
 Sn21Cl16(OH)14O6, das sogenannte basische zinn(II)-clorid
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              1551
_journal_page_last               1560
_journal_volume                  36
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl16 H14 O20 Sn21'
_chemical_name_mineral           Abhurite
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.018
_cell_length_b                   10.018
_cell_length_c                   44.03
_cell_formula_units_Z            3
_cell_volume                     3826.849
_database_code_amcsd             0015835
_exptl_crystal_density_diffrn    4.418
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_original_formula_sum        'Sn21 Cl16 O20 H14'
_cod_database_code               9009804
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn1 0.00000 0.00000 0.30310 0.01450
Sn2 0.00000 0.00000 0.06860 0.01510
Sn3 0.00000 0.00000 0.59110 0.01510
Sn4 0.73340 0.00000 0.00000 0.02600
Sn5 0.59260 0.66880 0.90500 0.01550
Sn6 0.22230 0.18400 0.86960 0.02220
Cl1 0.00000 0.00000 0.50000 0.03360
Cl2 0.36800 0.00000 0.50000 0.02250
Cl3 0.33200 0.00400 0.95950 0.01600
Cl4 0.32800 0.33000 0.93400 0.02010
O1 0.00000 0.00000 0.15500 0.02310
O2 0.17000 0.02000 0.10310 0.02330
O3 0.83300 0.33100 0.89240 0.01630
O4 0.16700 0.66100 0.00050 0.02150
H1 0.00000 0.00000 0.19000 0.04000
H2 0.82000 0.45000 0.98000 0.04000
H3 0.84000 0.40000 0.87000 0.04000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015835
