#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/55/1535531.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_1535531
loop_
_publ_author_name
'Hoffmann, R.'
'Hoppe, R.'
_publ_section_title
;
 Zwei neue Ordnungsvarianten des NaCl-Typs: Li4 Mo O5 und Li4 W O5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              157
_journal_page_last               169
_journal_volume                  573
_journal_year                    1989
_chemical_formula_sum            'Li4 Mo O5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.7
_cell_angle_beta                 101.48
_cell_angle_gamma                108.58
_cell_formula_units_Z            2
_cell_length_a                   5.119
_cell_length_b                   7.727
_cell_length_c                   5.064
_cell_volume                     178.262
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoffmann_ZAACAB_1989_1985.cif
_cod_data_source_block           Li4Mo1O5
_cod_original_cell_volume        178.2619
_cod_original_formula_sum        'Li4 Mo1 O5'
_cod_database_code               1535531
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O4 O-2 0.1842 0.4258 0.3324 1 0.0
Li3 Li+1 0.3984 0.903 0.2136 1 0.0
Li2 Li+1 0 0 0.5 1 0.0
Mo1 Mo+6 0.2227 0.2189 0.1069 1 0.0
O2 O-2 0.823 0.0404 0.1323 1 0.0
O1 O-2 0.5638 0.336 0.0483 1 0.0
Li4 Li+1 0.6136 0.6033 0.3007 1 0.0
Li1 Li+1 0 0.5 0 1 0.0
O3 O-2 0.9895 0.7492 0.2232 1 0.0
Li5 Li+1 0.7991 0.2944 0.4201 1 0.0
O5 O-2 0.3896 0.1569 0.423 1 0.0
