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 = 2.61 GPa
;
_database_code_amcsd 0018608
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Sn O3'
_cell_length_a 5.4824
_cell_length_b 5.6384
_cell_length_c 7.8387
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 242.310
_exptl_crystal_density_diffrn      5.668
_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  -0.01290   0.05150   0.25000   0.00665
Sn   0.00000   0.50000   0.50000   0.00363
O1   0.10040   0.46330   0.25000   0.00621
O2   0.69770   0.29830   0.05260   0.00722
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 0.00655 0.00644 0.00707 0.00045 0.00000 0.00000
Sn 0.00362 0.00417 0.00308 0.00005 0.00002 0.00011
O1 0.00944 0.00709 0.00187 0.00047 0.00000 0.00000
O2 0.00761 0.00548 0.00809 -0.00313 0.00022 -0.00157