data_global
_chemical_name_mineral 'Margarosanite'
loop_
_publ_author_name
'Freed R L'
'Peacor D R'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 128 
_journal_year 1969
_journal_page_first 213
_journal_page_last 228
_publ_section_title
;
 Determination and refinement of the crystal structure of margarosanite,
 PbCa2Si3O9
;
_database_code_amcsd 0010672
_chemical_compound_source 'Parker Shaft, North Mine Hill, Franklin, New Jersey, USA'
_chemical_formula_sum 'Pb Ca2 Si3 O9'
_cell_length_a 6.768
_cell_length_b 9.575
_cell_length_c 6.718
_cell_angle_alpha 110.36
_cell_angle_beta 102.98
_cell_angle_gamma 83.02
_cell_volume 397.275
_exptl_crystal_density_diffrn      4.310
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Pb   0.08860   0.15820   0.28650   0.00722
Ca1   0.27000   0.49510   0.76290   0.00241
Ca2   0.44300   0.16770   0.92970   0.00545
Si1   0.09570   0.78170   0.15900   0.00355
Si2   0.23280   0.51490   0.28030   0.00481
Si3   0.43820   0.79820   0.51480   0.00380
O1   0.22740   0.74690   0.97790   0.00443
O2   0.10920   0.12450   0.90710   0.00304
O3   0.22990   0.87900   0.39550   0.01456
O4   0.04690   0.62660   0.19670   0.00431
O5   0.37320   0.43800   0.10570   0.00621
O6   0.12380   0.40720   0.35610   0.00912
O7   0.35690   0.63730   0.50730   0.00469
O8   0.47950   0.09770   0.23920   0.00494
O9   0.38850   0.23790   0.62440   0.00443