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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/1/53/06/1530652.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_1530652
loop_
_publ_author_name
'Rogachev, D.L.'
'Dikareva, L.M.'
'Nikolaev, V.P.'
'Kuznetsov, V.J.'
_publ_section_title
;
 The structure of hafnium and sodium sulfate Hf (S O4)2 (Na2 S O4) (H2 O)3
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              194
_journal_page_last               196
_journal_volume                  22
_journal_year                    1981
_chemical_formula_sum            'H6 Hf Na2 O15 S3'
_chemical_name_systematic        'Na2 Hf (S O4)3 (H2 O)3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.091
_cell_length_b                   7.791
_cell_length_c                   22.179
_cell_volume                     1225.301
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Rogachev_ZSTKAI_1981_1395.cif
_cod_data_source_block           H6Hf1Na2O15S3
_cod_original_formula_sum        'H6 Hf1 Na2 O15 S3'
_cod_database_code               1530652
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
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
O10 O-2 0.144 0.096 0.888 1 0.0
S3 S+6 0.994 0.101 0.9321 1 0.0
O9 O-2 0.076 0.086 0.992 1 0.0
O12 O-2 0.857 0.966 0.922 1 0.0
O11 O-2 0.402 0.229 0.068 1 0.0
O3 O-2 0.211 0.962 0.254 1 0.0
O15 O-2 0.182 0.576 0.214 1 0.0
S1 S+6 0.209 0.933 0.7049 1 0.0
O14 O-2 0.459 0.658 0.575 1 0.0
O13 O-2 0.354 0.903 0.032 1 0.0
O2 O-2 0.14 0.174 0.176 1 0.0
O7 O-2 0.71 0.802 0.058 1 0.0
O6 O-2 0.035 0.815 0.089 1 0.0
O8 O-2 0.78 0.814 0.164 1 0.0
O5 O-2 0.853 0.062 0.1 1 0.0
Hf1 Hf+4 0.1607 0.0753 0.082 1 0.0
S2 S+6 0.164 0.366 0.3956 1 0.0
Na2 Na+1 0.238 0.716 0.3099 1 0.0
Na1 Na+1 0.481 0.669 0.1707 1 0.0
O4 O-2 0.447 0.174 0.224 1 0.0
O1 O-2 0.151 0.047 0.652 1 0.0
