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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006655.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_9006655
_chemical_name 'Malayaite'
loop_
_publ_author_name
'Zhang M'
'Meyer H W'
'Groat L A'
'Bismayer U'
'Salje E K H'
'Adiwidjaja G'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 26
_journal_year 1999
_journal_page_first 546
_journal_page_last 553
_publ_section_title
;
 An infrared spectroscopic and single-crystal X-ray study
 of malayaite, CaSnSiO5
 Sample: T = 730 K
 Note: x-coordinate of O1 altered from the value reported
;
_chemical_formula_sum 'Ca Sn Si O5'
_cell_length_a 7.167
_cell_length_b 8.912
_cell_length_c 6.688
_cell_angle_alpha 90
_cell_angle_beta 113.36
_cell_angle_gamma 90
_cell_volume 392.163
_symmetry_space_group_name_H-M 'A 1 2/a 1'
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_Uiso_or_equiv
Ca   0.25000   0.66310   0.50000   0.03470
Sn   0.50000   0.50000   0.00000   0.00950
Si   0.75000   0.68160   0.50000   0.00990
O1   0.75000   0.58640   0.00000   0.01690
O2   0.91210   0.56830   0.67520   0.01770
O3   0.37220   0.71220   0.89150   0.01580