data_9000160
_chemical_name 'Walstromite'
loop_
_publ_author_name
'Dent Glasser L S'
'Glasser F P'
_journal_name_full "American Mineralogist"
_journal_volume 53
_journal_year 1968
_journal_page_first 9
_journal_page_last 13
_publ_section_title
;
 The crystal structure of walstromite
;
_chemical_formula_sum 'Ca2 Ba Si3 O9'
_cell_length_a 6.733
_cell_length_b 9.616
_cell_length_c 6.723
_cell_angle_alpha 69.62
_cell_angle_beta 102.33
_cell_angle_gamma 96.90
_cell_volume 398.121
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.27200   0.50700   0.76300
Ca2   0.43500   0.83100   0.93500
Ba   0.04900   0.84800   0.32300
Si1   0.09600   0.22200   0.14500
Si2   0.23500   0.48400   0.28400
Si3   0.44200   0.19600   0.51100
O1   0.23600   0.25100  -0.02700
O2  -0.09800   0.11400   0.10200
O3   0.04200   0.36600   0.21200
O4   0.36600   0.55600   0.08900
O5   0.12500   0.58000   0.38900
O6   0.35200   0.36500   0.49400
O7   0.61300   0.23800   0.36800
O8   0.51700   0.08400   0.76500
O9   0.23800   0.13000   0.38900