data_9009294
_chemical_name 'Paralstonite'
loop_
_publ_author_name
'Effenberger H'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1980
_journal_year 1980
_journal_page_first 353
_journal_page_last 363
_publ_section_title
;
 Die kristallstruktur des minerals paralstonite, BaCa(CO3)2
 Locality:Cave-in-Rock District, Illinois, USA
;
_chemical_formula_sum 'Ba Ca C2 O6'
_cell_length_a 8.692
_cell_length_b 8.692
_cell_length_c 6.148
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 402.257
_symmetry_space_group_name_H-M 'P 3 2 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ba   0.68700   0.00000   0.00000   0.00975
Ca   0.35860   0.00000   0.50000   0.00481
C1   0.33333   0.66667   0.35600   0.01900
C2   0.33333   0.66667   0.81700   0.02280
C3   0.00000   0.00000   0.26700   0.00380
O1   0.19100   0.67700   0.35500   0.02533
O2   0.17300   0.51700   0.82200   0.02913
O3   0.15000   0.00100   0.25500   0.01520