data_global
_chemical_name_mineral 'Megawite'
loop_
_publ_author_name
'Zhao J'
'Ross N L'
'Angel R J'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 31 
_journal_year 2004
_journal_page_first 299
_journal_page_last 305
_publ_section_title
;
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 6.73 GPa
;
_database_code_amcsd 0018612
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Sn O3'
_cell_length_a 5.43626
_cell_length_b 5.60235
_cell_length_c 7.77743
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 236.868
_exptl_crystal_density_diffrn      5.799
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca  -0.01364   0.05280   0.25000   0.00619
Sn   0.00000   0.50000   0.50000   0.00367
O1   0.10230   0.46470   0.25000   0.00608
O2   0.69610   0.29890   0.05260   0.00646
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
Ca 0.00584 0.00684 0.00594 -0.00099 0.00000 0.00000
Sn 0.00400 0.00385 0.00319 0.00008 0.00030 0.00002
O1 0.01093 0.00509 0.00215 -0.00093 0.00000 0.00000
O2 0.00509 0.00541 0.00889 -0.00247 0.00064 -0.00066