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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/1/53/01/1530179.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_1530179
loop_
_publ_author_name
'Klevtsova, R.F.'
'Glinskaya, L.A.'
'Gaponenko, L.A.'
'Zolotova, E.S.'
'Podberezskaya, N.V.'
'Klevtsov, P.V.'
_publ_section_title
;
 Synthesis and crystal structure of double molybdates of sodium and
 zirconium
;
_journal_name_full               Kristallografiya
_journal_page_first              751
_journal_page_last               756
_journal_volume                  24
_journal_year                    1979
_chemical_formula_sum            'Mo3 Na2 O12 Zr'
_chemical_name_systematic        'Na2 Zr (Mo O4)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.37
_cell_length_b                   11.35
_cell_length_c                   5.02
_cell_volume                     906.943
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Klevtsova_KRISAJ_1979_636.cif
_cod_data_source_block           Mo3Na2O12Zr1
_cod_original_cell_volume        906.9426
_cod_original_formula_sum        'Mo3 Na2 O12 Zr1'
_cod_database_code               1530179
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Mo1 Mo+6 0 0.146 0.25 1 0.0
O5 O-2 0.219 0.297 0.255 1 0.0
O4 O-2 0.072 0.465 0.118 1 0.0
O1 O-2 0.078 0.057 0.433 1 0.0
O3 O-2 0.23 0.472 0.656 1 0.0
O2 O-2 0.048 0.234 0.025 1 0.0
Zr1 Zr+4 0 0.6241 0.25 1 0.0
Mo2 Mo+6 0.1626 0.3953 0.3962 1 0.0
Na1 Na+1 0.153 0.882 0.399 1 0.0
O6 O-2 0.103 0.308 0.588 1 0.0
