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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/2/10/18/2101870.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_2101870
loop_
_publ_author_name
'Hibble, S. J.'
'Fawcett, I. D.'
'Hannon, A. C.'
_publ_section_title
;
 Structure of Two Disordered Molybdates, Li₂MoIVO₃ and
 Li₄Mo₃IVO₈, from Total Neutron Scattering
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              604
_journal_page_last               612
_journal_paper_doi               10.1107/S0108768197003844
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Li4 Mo3 O8'
_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            6
_cell_length_a                   5.738
_cell_length_b                   5.738
_cell_length_c                   30.768
_cell_volume                     877.306
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_cod_data_source_file            ab0367.cif
_cod_data_source_block           ab0367c
_cod_original_sg_symbol_H-M      'R -3 m {hexagonal axes}'
_cod_database_code               2101870
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo .1846 .8154 .0839 1.0
O1 .0 .0 .3738 1.0
O2 .0 .0 .1182 1.0
O3 .8454 .1546 .0479 1.0
O4 .4941 .5059 .1230 1.0
Li1 .0 .0 .1803 1.0
Li2 .0 .0 .3080 1.0
Li3 .0 .0 .0 1.0
Li4 .0 .0 .5 1.0
Li5 .6667 .3333 .0894 .3333
