data_global
_chemical_name_mineral 'Malayaite'
loop_
_publ_author_name
'Groat L A'
'Kek S'
'Bismayer U'
'Schmidt C'
'Krane H G'
'Meyer H'
'Nistor L'
'Van Tendeloo G'
_journal_name_full 'American Mineralogist'
_journal_volume 81 
_journal_year 1996
_journal_page_first 595
_journal_page_last 602
_publ_section_title
;
 A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman
 spectroscopic study of malayaite, CaSnSiO5
;
_database_code_amcsd 0001792
_chemical_formula_sum 'Si Sn Ca O5'
_cell_length_a 7.1535
_cell_length_b 8.8933
_cell_length_c 6.6674
_cell_angle_alpha 90
_cell_angle_beta 113.342
_cell_angle_gamma 90
_cell_volume 389.453
_exptl_crystal_density_diffrn      4.552
_symmetry_space_group_name_H-M 'A 1 2/a 1'
loop_
_space_group_symop_operation_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
Si   0.75000   0.68196   0.50000
Sn   0.50000   0.50000   0.00000
Ca   0.25000   0.66262   0.50000
O1   0.75000   0.58681   0.00000
O2   0.91140   0.56776   0.67552
O3   0.37224   0.71195   0.89032
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.00409 0.00420 0.00476 0.00000 0.00151 0.00000
Sn 0.00362 0.00417 0.00494 -0.00018 0.00143 0.00004
Ca 0.03240 0.00486 0.00753 0.00000 -0.00129 0.00000
O1 0.00540 0.00570 0.01340 0.00000 0.00470 0.00000
O2 0.00956 0.00797 0.00561 0.00298 0.00154 0.00154
O3 0.00910 0.00600 0.00758 0.00252 0.00414 0.00072