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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/1/53/01/1530162.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_1530162
loop_
_publ_author_name
'Khomyakov, A.P.'
'Shumyatskaya, N.G.'
'Kurova, T.A.'
'Voronkov, A.A.'
'Pyatenko, J.A.'
_publ_section_title
;
 About the new natural zirconosilicate Na5 Zr2 (Si6 O18) Cl (H2 O)2 and
 its crystal structure
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              622
_journal_page_last               624
_journal_volume                  257
_journal_year                    1981
_chemical_formula_sum            'Cl H4 Na5 O20 Si6 Zr2'
_chemical_name_systematic        'Na5 Zr2 (Si6 O18) Cl (H2 O)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.785
_cell_length_b                   14.492
_cell_length_c                   6.627
_cell_volume                     952.586
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Khomyakov_DANKAS_1981_997.cif
_cod_data_source_block           H4Cl1Na5O20Si6Zr2
_cod_original_cell_volume        952.5862
_cod_original_formula_sum        'H4 Cl1 Na5 O20 Si6 Zr2'
_cod_database_code               1530162
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Na2 Na+1 0 0 0 1 0.0
Na1 Na+1 0.215 0.131 0.554 1 0.0
O5 O-2 0.127 0.366 0.64 1 0.0
O2 O-2 0.186 0.5 0.936 1 0.0
Si1 Si+4 0 0.301 0.5 1 0.0
O4 O-2 0.136 0.127 0.051 1 0.0
Si2 Si+4 0.209 0.392 0.9 1 0.0
Cl1 Cl-1 0 0 0.5 1 0.0
Zr1 Zr+4 0 0.235 0 1 0.0
O6 O-2 0.148 0.5 0.331 1 0.0
O1 O-2 0.153 0.331 0.052 1 0.0
O3 O-2 0.048 0.242 0.34 1 0.0
