#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/06/9010609.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_9010609
loop_
_publ_author_name
'Locock, A. J.'
'Ramik, R. A.'
'Back, M. E.'
_publ_section_title
;
 The structures of two novel Sn2+ oxysalts found with romarchite and
 hydroromarchite as corrosion products of pewter artifacts
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1457
_journal_page_last               1467
_journal_paper_doi               10.2113/gscanmin.44.6.1457
_journal_volume                  44
_journal_year                    2006
_chemical_formula_structural     Sn6SiO8
_chemical_formula_sum            'O8 Si Sn6'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3742
_cell_length_b                   7.3742
_cell_length_c                   11.9598
_cell_formula_units_Z            2
_cell_volume                     563.228
_database_code_amcsd             0006130
_exptl_crystal_density_diffrn    5.120
_cod_original_formula_sum        'Sn6 Si O8'
_cod_database_code               9010609
_amcsd_formula_title             Sn6SiO8
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn1 0.82637 0.17363 0.59214 0.03065
Sn2 0.49272 0.50728 0.85203 0.02947
Si 0.33333 0.66667 0.59630 0.01460
O1 0.45470 0.90940 0.54770 0.02750
O2 0.33333 0.66667 0.73070 0.02400
O3 0.66667 0.33333 0.61770 0.01180
O4 0.19460 0.38910 0.92080 0.01670
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006130
