data_global
_chemical_name_mineral 'Rankinite'
loop_
_publ_author_name
'Kusachi I'
'Henmi C'
'Kawahara A'
'Henmi K'
_journal_name_full 'Mineralogical Journal'
_journal_volume 8 
_journal_year 1975
_journal_page_first 38
_journal_page_last 47
_publ_section_title
;
 The structure of rankinite
;
_database_code_amcsd 0014416
_chemical_formula_sum 'Ca3 Si2 O7'
_cell_length_a 10.60
_cell_length_b 8.92
_cell_length_c 7.89
_cell_angle_alpha 90
_cell_angle_beta 119.6
_cell_angle_gamma 90
_cell_volume 648.656
_exptl_crystal_density_diffrn      2.953
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Ca1   0.00710   0.05520   0.28930   0.01849
Ca2   0.16770   0.57450   0.20830   0.01798
Ca3   0.34030   0.90340   0.28390   0.01786
Si1   0.29480   0.23570   0.43140   0.01393
Si2   0.09030   0.21450   0.98430   0.01203
O1   0.35790   0.40380   0.42290   0.01127
O2   0.17820   0.23440   0.50330   0.01418
O3   0.41050   0.10160   0.55230   0.00988
O4   0.20070   0.16290   0.21200   0.00798
O5   0.09700   0.38570   0.98100   0.00646
O6   0.14510   0.14870   0.84370   0.00697
O7   0.92990   0.15360   0.93940   0.00215