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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/7/22/25/7222528.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_7222528
loop_
_publ_author_name
'Harringer, N.A.'
'Kolb, A.'
'Klepp, K.O.'
_publ_section_title
;
 Na2 Zr Se3, ein neues Chalcogenometallat(IV) mit Schichtstruktur
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1322
_journal_page_last               1324
_journal_volume                  56
_journal_year                    2001
_chemical_formula_sum            'Na2 Se3 Zr'
_chemical_name_systematic        'Na2 (Zr Se3)'
_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                 108.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.925
_cell_length_b                   12.01
_cell_length_c                   7.257
_cell_volume                     571.325
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Harringer_ZNBSEN_2001_421.cif
_cod_data_source_block           Na2Se3Zr1
_cod_original_formula_sum        'Na2 Se3 Zr1'
_cod_database_code               7222528
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
Na1 Na+1 0 0 0 1 0.0
Na3 Na+1 0 0.1571 0.5 1 0.0
Zr1 Zr+4 0.5 0.16845 0 1 0.0
Na2 Na+1 0.5 0 0.5 1 0.0
Se1 Se-2 0.74387 0.1804 0.77559 1 0.0
Se2 Se-2 0.28513 0 0.77725 1 0.0
