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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/78/1527857.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_1527857
loop_
_publ_author_name
'Mumme, W.G.'
'Watts, J.A.'
_publ_section_title
;
 The Crystal Structure of the Molybdenum Bronze Csx Mo O3 (X ca. 0.25)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              16
_journal_page_last               23
_journal_volume                  2
_journal_year                    1970
_chemical_formula_sum            'Cs0.25 Mo O3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.5
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   6.425
_cell_length_b                   7.543
_cell_length_c                   8.169
_cell_volume                     393.356
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mumme_JSSCBI_1970_1943.cif
_cod_data_source_block           Cs0.25Mo1O3
_cod_original_cell_volume        393.3557
_cod_original_formula_sum        'Cs0.25 Mo1 O3'
_cod_database_code               1527857
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
O2 O 0.2991 0.25 0.0405 1 0.0
O7 O 0.2218 0.0397 0.3032 1 0.0
O1 O 0 0 0 1 0.0
O4 O 0.4635 0.25 0.5958 1 0.0
Mo2 Mo 0.2715 0.0047 0.106 1 0.0
O3 O 0.3043 0.75 0.0927 1 0.0
Mo1 Mo 0.3482 0.25 0.7753 1 0.0
O6 O 0.397 0.0085 0.8542 1 0.0
Cs1 Cs 0.1785 0.75 0.6113 0.75 0.0
O5 O 0.0942 0.25 0.7214 1 0.0
