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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/1/53/01/1530183.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_1530183
loop_
_publ_author_name
'Klevtsova, R.F.'
'Zolotova, E.S.'
'Klevtsov, P.V.'
'Glinskaya, L.A.'
_publ_section_title
;
 Synthesis of double molybdates of zirconium and hafnium with cesium, and
 the crystal structure of Cs8 Zr (Mo O4)6
;
_journal_name_full               Kristallografiya
_journal_page_first              972
_journal_page_last               978
_journal_volume                  25
_journal_year                    1980
_chemical_formula_sum            'Cs8 Mo6 O24 Zr'
_chemical_name_systematic        'Cs8 Zr (Mo O4)6'
_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            2
_cell_length_a                   10.345
_cell_length_b                   19.374
_cell_length_c                   8.291
_cell_volume                     1572.968
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Klevtsova_KRISAJ_1980_649.cif
_cod_data_source_block           Cs8Mo6O24Zr1
_cod_original_cell_volume        1572.969
_cod_original_formula_sum        'Cs8 Mo6 O24 Zr1'
_cod_database_code               1530183
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
O7 O-2 0.3548 0 0.401 1 0.0
Cs2 Cs+1 0 0.3337 0.5 1 0.0
Cs3 Cs+1 0.1915 0.3282 0.1106 1 0.0
O5 O-2 0.4787 0.0733 0.1896 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
O6 O-2 0.2112 0 0.0307 1 0.0
Mo1 Mo+6 0.1005 0.1537 0.2805 1 0.0
Mo2 Mo+6 0.3783 0 0.2032 1 0.0
O2 O-2 -0.0093 0.2254 0.2232 1 0.0
Cs1 Cs+1 0.2089 0 0.6474 1 0.0
O3 O-2 0.2357 0.1709 0.2061 1 0.0
O4 O-2 0.1691 0.1463 0.5039 1 0.0
O1 O-2 0.0149 0.0754 0.1871 1 0.0
