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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/1/52/97/1529778.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_1529778
loop_
_publ_author_name
'Cox, D.E.'
'Cava, R.J.'
'Murphy, D.W.'
'McWhan, D.B.'
_publ_section_title
;
 A neutron powder diffraction study of the lithium insertion compound Li
 Mo O2 from 4-440 K
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              657
_journal_page_last               666
_journal_volume                  43
_journal_year                    1982
_chemical_formula_sum            'Li0.98 Mo O2'
_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                 118.765
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5654
_cell_length_b                   5.2086
_cell_length_c                   5.8587
_cell_volume                     148.875
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Cox_JPCSAW_1982_982.cif
_cod_data_source_block           Li0.98Mo1O2
_cod_original_cell_volume        148.8746
_cod_original_formula_sum        'Li0.98 Mo1 O2'
_cod_database_code               1529778
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
Mo1 Mo+3 0.2243 -0.0041 0.0063 1 0.0
O2 O-2 0.4111 0.7349 0.3319 1 0.0
Li1 Li+1 0.26 0 0.514 0.98 0.0
O1 O-2 0.0904 0.2613 0.1832 1 0.0
