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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536736.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_1536736
loop_
_publ_author_name
'Porter, Y.'
'Halasyamani, P.S.'
_publ_section_title
;
 New alkali-metal - molybdenum(VI) - selenium(IV) oxides:
 syntheses,structures and characterization of A2 Se Mo O6 (A = Na(+), K(+)
 or Rb(+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              441
_journal_page_last               449
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Mo O6 Rb2 Se'
_chemical_name_systematic        'Rb2 (Se Mo O6)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.805
_cell_length_b                   6.188
_cell_length_c                   14.405
_cell_volume                     695.723
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Porter_JSSCBI_2003_974.cif
_cod_data_source_block           Mo1O6Rb2Se1
_cod_original_cell_volume        695.7232
_cod_original_formula_sum        'Mo1 O6 Rb2 Se1'
_cod_database_code               1536736
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
O3 O-2 0.5492 -0.0263 0.8353 1 0.0
Rb2 Rb+1 0.6285 0.75 0.0329 1 0.0
O4 O-2 0.7431 0.25 -0.0028 1 0.0
Rb1 Rb+1 0.6565 0.75 0.2999 1 0.0
O1 O-2 0.671 0.25 0.2764 1 0.0
O2 O-2 0.8889 0.0484 0.1429 1 0.0
Mo1 Mo+6 0.8973 0.25 0.2691 1 0.0
Se1 Se+4 0.9166 0.25 0.0623 1 0.0
