#------------------------------------------------------------------------------
#$Date: 2023-05-10 18:44:19 +0100 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/97/9009700.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_9009700
loop_
_publ_author_name
'Cohen-Addad C'
_publ_section_title
;
 Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par
 diffraction des rayons X et resonance magnetique nucleaire
 Note: schoenfliesite group
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              32
_journal_page_last               35
_journal_volume                  90
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca H6 O6 Sn'
_chemical_name_mineral           Burtite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.15
_cell_length_b                   8.15
_cell_length_c                   8.15
_cell_volume                     541.343
_database_code_amcsd             0012123
_exptl_crystal_density_diffrn    3.200
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Ca Sn (O6 H6)'
_cod_database_code               9009700
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,1/2+x,-y
1/2+z,-x,1/2+y
-z,1/2+x,1/2+y
-z,-x,-y
y,1/2-z,1/2-x
1/2-y,1/2-z,x
1/2-y,z,1/2-x
y,z,x
1/2+x,-y,1/2+z
-x,1/2+y,1/2+z
1/2+x,1/2+y,-z
-x,-y,-z
1/2-z,1/2-x,y
1/2-z,x,1/2-y
z,1/2-x,1/2-y
z,x,y
-y,1/2+z,1/2+x
1/2+y,1/2+z,-x
1/2+y,-z,1/2+x
-y,-z,-x
1/2-x,y,1/2-z
x,1/2-y,1/2-z
1/2-x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
_atom_site_type_symbol
Ca 0.00000 0.00000 0.00000 0.01140 0 Ca
Sn 0.50000 0.50000 0.50000 0.01013 0 Sn
O-H -0.06500 0.06500 0.26900 0.02280 1 O
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:52:04+03:00
;Derived atom types
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012123