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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/1/53/07/1530778.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_1530778
loop_
_publ_author_name
'Sirotinkin, S.P.'
'Tchijov, S.M.'
'Pokrovskii, A.N.'
'Kovba, L.M.'
_publ_section_title
;
 Structure cristalline de sulfates doubles de sodium et de terres rares
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              101
_journal_page_last               105
_journal_volume                  58
_journal_year                    1978
_chemical_formula_sum            'Na Nd O8 S2'
_chemical_name_systematic        'Na Nd (S O4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.3
_cell_angle_beta                 98.95
_cell_angle_gamma                90.93
_cell_formula_units_Z            2
_cell_length_a                   6.95
_cell_length_b                   6.343
_cell_length_c                   7.215
_cell_volume                     312.115
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Sirotinkin_JCOMAH_1978_292.cif
_cod_data_source_block           Na1Nd1O8S2
_cod_original_cell_volume        312.1153
_cod_original_formula_sum        'Na1 Nd1 O8 S2'
_cod_database_code               1530778
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
O1 O-2 0.0287 0.0104 0.2463 1 0.0
O6 O-2 0.2617 0.7579 0.3746 1 0.0
O5 O-2 0.3386 -0.001 0.1588 1 0.0
S2 S+6 0.182 0.8709 0.2148 1 0.0
O3 O-2 0.2952 0.3123 0.881 1 0.0
O4 O-2 0.1084 0.5616 0.689 1 0.0
O2 O-2 0.1053 0.6965 0.0524 1 0.0
O8 O-2 0.4559 0.5936 0.747 1 0.0
O7 O-2 0.2943 0.2938 0.5396 1 0.0
Na1 Na+1 0.3078 0.9277 0.7174 1 0.0
S1 S+6 0.2871 0.4419 0.7144 1 0.0
Nd1 Nd+3 0.1951 0.3621 0.2047 1 0.0
