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#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/44/2104404.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_2104404
loop_
_publ_author_name
'Landa-Cánovas, Ángel R.'
'Vila, Eladio'
'Hernández-Velasco, Jorge'
'Galy, Jean'
'Castro, Alicia'
_publ_section_title
;
 Structural elucidation of the
 Bi₂₍ₙ+2)MoₙO₆₍ₙ+1) (n = 3, 4, 5 and
 6) family of fluorite superstructures by transmission electron
 microscopy
;
_journal_coeditor_code           WH5006
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              458
_journal_page_last               466
_journal_paper_doi               10.1107/S0108768109023908
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'Bi16 Mo6 O42'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           'generated by CrystalMaker 1.4.5'
_cell_angle_alpha                90.0000000
_cell_angle_beta                 101.0200000
_cell_angle_gamma                90.0000000
_cell_formula_units_Z            1
_cell_length_a                   19.9850000
_cell_length_b                   5.6320000
_cell_length_c                   8.6340000
_cell_volume                     953.885
_cod_data_source_file            wh5006.cif
_cod_data_source_block           Bi816Mo6O42
_cod_depositor_comments
;
Values for _chemical_formula_sum and _cell_formula_units_Z tags were
restored during the COD deposition. The Z units and contents of Bi and
Mo were calculated from crystallographic data using the
cif_cell_contents Perl program. The oxygen contents was derived from
the general composition formula provided in the abstract of the paper
(http://scripts.iucr.org/cgi-bin/paper?S0108768109023908,
http://dx.doi.org/10.1107/S0108768109023908). The derived formulae
match the names of the source data blocks. The oxygen atoms however
are not present in the structures.

Saulius Gra\<zulis
2009.09.07
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2104404
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi Bi1 0.5227 0.5000 0.1591
Bi Bi2 0.3864 0.0000 0.2045
Bi Bi3 0.2500 0.5000 0.2500
Bi Bi4 0.1136 0.0000 0.3182
Bi Bi5 0.9773 0.5000 0.3409
Bi Bi6 0.8409 0.0000 0.3864
Bi Bi7 0.7045 0.5000 0.4318
Bi Bi8 0.5682 0.0000 0.4773
Mo Mo1 0.9318 0.0000 0.0227
Mo Mo2 0.7955 0.5000 0.0682
Mo Mo3 0.6591 0.0000 0.1136
