#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002892.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_9002892
loop_
_publ_author_name
'Rath, S.'
'Kunz, M.'
'Miletich, R.'
_publ_section_title
;
 Pressure-induced phase transition in malayaite, CaSnOSiO4
 Sample: at P = 0.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_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                 113.362
_cell_angle_gamma                90
_cell_length_a                   7.1523
_cell_length_b                   8.8902
_cell_length_c                   6.6677
_cell_volume                     389.210
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    4.554
_[local]_cod_chemical_formula_sum_orig 'Ca Sn Si O5'
_cod_database_code               9002892
_amcsd_database_code             AMCSD#0002980
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.25000 0.66280 0.50000 0.02500
Sn 0.50000 0.50000 0.00000 0.00900
Si 0.75000 0.68150 0.50000 0.01070
O1 0.75000 0.58700 0.00000 0.01000
O2 0.91470 0.56790 0.67600 0.01000
O3 0.37000 0.71160 0.88800 0.01000