#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/70/1537098.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_1537098
loop_
_publ_author_name
'Kruegermann, I.'
'Wickleder, M.S.'
_publ_section_title
;
 Pr4 (Se O3)2 (Se O4) F6 und Na Sm (Se O3) (Se O4): Selenit-Selenate der
 Selten-Erd-Elemente
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              147
_journal_page_last               151
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Na O7 Se2 Sm'
_chemical_name_systematic        'Na Sm (Se O3) (Se O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.669
_cell_length_b                   6.917
_cell_length_c                   8.259
_cell_volume                     609.401
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kruegermann_ZAACAB_2002_433.cif
_cod_data_source_block           Na1O7Se2Sm1
_cod_original_cell_volume        609.4005
_cod_original_formula_sum        'Na1 O7 Se2 Sm1'
_cod_database_code               1537098
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
Se1 Se+4 0.32895 0.17169 0.55466 1 0.0
Se2 Se+6 0.83937 0.14266 1.04289 1 0.0
O5 O-2 0.814 0.0633 0.8583 1 0.0
O2 O-2 0.5526 -0.1583 0.9352 1 0.0
O7 O-2 0.88 -0.025 1.1681 1 0.0
O6 O-2 0.9427 0.3144 1.0482 1 0.0
O1 O-2 0.4092 -0.0029 0.6603 1 0.0
O4 O-2 0.6973 0.2241 1.079 1 0.0
O3 O-2 0.3425 0.3836 0.859 1 0.0
Sm1 Sm+3 0.58373 0.15274 0.80579 1 0.0
Na1 Na+1 1.0639 0.1278 1.312 1 0.0
