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#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/18/2101871.cif $
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#
# 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_2101871
loop_
_publ_author_name
'Hibble, S. J.'
'Fawcett, I. D.'
'Hannon, A. C.'
_publ_section_title
;
 Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and
 Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              604
_journal_page_last               612
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Li2 Mo O3'
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            16
_cell_length_a                   5.755
_cell_length_b                   5.755
_cell_length_c                   29.824
_cell_volume                     855.435
_diffrn_radiation_type           neutron
_[local]_cod_data_source_file    ab0367.cif
_[local]_cod_data_source_block   ab0367d
_[local]_cod_cif_authors_sg_H-M  'R -3 m {hexagonal axes}'
_[local]_cod_chemical_formula_sum_orig 'Li2 Mo1 O3'
_cod_database_code               2101871
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo .1836 .8164 .0839 .8889
O1 .0 .0 .3730 1.0
O2 .0 .0 .1170 1.0
O3 .8454 .1546 .0456 1.0
O4 .4941 .5059 .1229 1.0
Li1 .0 .0 .0 1.0
Li2 .0 .0 .5 1.0
Li3 .5 .0 .5 1.0
Li4 .0 .5 .0 1.0
Li5 .1580 .8420 .0839 .1111
Li6 .6697 .3303 .0830 .3333
_journal_paper_doi 10.1107/S0108768197003844