data_9008134
_chemical_name 'Pectolite'
loop_
_publ_author_name
'Prewitt C T'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 125
_journal_year 1967
_journal_page_first 298
_journal_page_last 316
_publ_section_title
;
 Refinement of the structure of pectolite, Ca2NaHSi3O9
 Locality: Erie railroad cut, Bergen Hill, New Jersey, USA
;
_chemical_formula_sum 'Ca2 Na H Si3 O9'
_cell_length_a 7.988
_cell_length_b 7.04
_cell_length_c 7.025
_cell_angle_alpha 90.52
_cell_angle_beta 95.18
_cell_angle_gamma 102.47
_cell_volume 383.994
_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
_atom_site_Uiso_or_equiv
Ca1   0.85480   0.59360   0.14490 ?
Ca2   0.84670   0.08390   0.14050 ?
Na   0.55240   0.25960   0.34330 ?
H   0.16200   0.62500   0.53000   0.03166
Si1   0.21850   0.40150   0.33740 ?
Si2   0.21500   0.95440   0.34400 ?
Si3   0.45050   0.73530   0.14470 ?
O1   0.65260   0.78710   0.12800 ?
O2   0.33000   0.70430  -0.05350 ?
O3   0.18640   0.49600   0.53950 ?
O4   0.17830   0.84650   0.54110 ?
O5   0.06330   0.38600   0.17330 ?
O6   0.06000   0.89610   0.17680 ?
O7   0.39920   0.53490   0.27200 ?
O8   0.39550   0.90920   0.27460 ?
O9   0.26280   0.19080   0.38510 ?