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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/1/53/67/1536734.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_1536734
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            'K2 Mo O6 Se'
_chemical_name_systematic        'K2 (Se Mo O6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.39
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.118
_cell_length_b                   15.395
_cell_length_c                   7.5809
_cell_volume                     660.191
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Porter_JSSCBI_2003_972.cif
_cod_data_source_block           K2Mo1O6Se1
_cod_original_cell_volume        660.1912
_cod_original_formula_sum        'K2 Mo1 O6 Se1'
_cod_database_code               1536734
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O3 O-2 0.7117 0.4797 0.506 1 0.0
O2 O-2 0.3703 0.5235 0.1513 1 0.0
K1 K+1 0.6432 0.1994 0.3896 1 0.0
O4 O-2 0.5977 0.6627 0.505 1 0.0
O6 O-2 0.0538 0.2301 0.277 1 0.0
Mo1 Mo+6 0.4596 0.4381 0.3142 1 0.0
O1 O-2 0.1001 0.396 0.199 1 0.0
O5 O-2 0.578 0.364 0.2033 1 0.0
K2 K+1 0.1104 0.4426 0.8111 1 0.0
Se1 Se+4 0.1001 0.3268 0.3796 1 0.0
