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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529614.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1529614
loop_
_publ_author_name
'Belokoneva, E.L.'
'Sandomirskii, P.A.'
'Simonov, M.A.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structure of cadmium Pectolite Na H Cd2 (Si3 O9)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1105
_journal_page_last               1108
_journal_volume                  212
_journal_year                    1973
_chemical_formula_sum            'Cd2 H Na O9 Si3'
_chemical_name_systematic        'Na H Cd2 (Si3 O9)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.4
_cell_angle_beta                 94.6
_cell_angle_gamma                102.8
_cell_formula_units_Z            2
_cell_length_a                   7.847
_cell_length_b                   6.98
_cell_length_c                   6.92
_cell_volume                     368.294
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Belokoneva_DANKAS_1973_414.cif
_cod_data_source_block           H1Cd2Na1O9Si3
_cod_original_cell_volume        368.2937
_cod_original_formula_sum        'H1 Cd2 Na1 O9 Si3'
_cod_database_code               1529614
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si3 Si+4 0.453 0.737 0.14 1 0.0
O5 O-2 0.339 0.203 0.879 1 0.0
Si1 Si+4 0.211 0.402 0.336 1 0.0
O3 O-2 0.406 0.539 0.283 1 0.0
O8 O-2 0.165 0.855 0.555 1 0.0
O6 O-2 0.328 0.708 0.942 1 0.0
O4 O-2 0.394 0.899 0.281 1 0.0
Cd1 Cd+2 0.138 0.409 0.855 1 0.0
O1 O-2 0.07 0.393 0.164 1 0.0
O9 O-2 0.261 0.189 0.387 1 0.0
O7 O-2 0.181 0.495 0.547 1 0.0
Na1 Na+1 0.446 0.746 0.654 1 0.0
Cd2 Cd+2 0.16 0.916 0.866 1 0.0
Si2 Si+4 0.219 0.954 0.346 1 0.0
O2 O-2 0.053 0.887 0.189 1 0.0
