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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/2/10/70/2107021.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107021
loop_
_publ_author_name
'Kools, F.X.N.M.'
'Koster, A.S.'
'Rieck, G.D.'
_publ_section_title
;
 The structures of potassium, rubidium and cesium molybdate and tungstate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1974
_journal_page_last               1977
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Cs2 Mo'
_chemical_name_systematic        'Cs2 (Mo O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.551
_cell_length_b                   11.586
_cell_length_c                   8.499
_cell_volume                     645.073
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kools_ACBCAR_1970_355.cif
_cod_data_source_block           Cs2Mo1
_cod_original_cell_volume        645.0731
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'Cs2 Mo1'
_cod_database_code               2107021
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,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
Cs2 Cs+1 0.25 0.418 0.671 1 0.0
Mo1 Mo+6 0.25 0.416 0.224 1 0.0
Cs1 Cs+1 0.25 0.707 0.991 1 0.0
