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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/13/1531366.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_1531366
loop_
_publ_author_name
'Eremin, N.N.'
'Urusov, V.S.'
'Rusakov, V.S.'
'Yakubovich, O.V.'
_publ_section_title
;
 Precision X-ray diffraction and Moessbauer studies and computer
 simulation of the structure and properties of malayaite Ca Sn O Si O4
;
_journal_name_full               Kristallografiya
_journal_page_first              825
_journal_page_last               833
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_systematic        'Ca Sn O (Si O4)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.152
_cell_length_b                   8.888
_cell_length_c                   6.667
_cell_volume                     389.033
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Eremin_KRISAJ_2002_1726.cif
_cod_data_source_block           Ca1O5Si1Sn1
_cod_original_cell_volume        389.0334
_cod_original_sg_symbol_Hall     '-C 2yc (z,y,-x)'
_cod_original_formula_sum        'Ca1 O5 Si1 Sn1'
_cod_database_code               1531366
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
-x,-y,-z
x-1/2,-y,z
x,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x-1/2,-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
Ca1 Ca+2 0.25 0.6598 0.5 1 0.0
O3 O-2 0.3836 0.7108 0.9304 1 0.0
O1 O-2 0.75 0.5528 0 1 0.0
Si1 Si+4 0.75 0.6915 0.5 1 0.0
O2 O-2 0.8794 0.5894 0.6757 1 0.0
Sn1 Sn+4 0.5 0.5 0 1 0.0
