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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/18/1531883.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_1531883
loop_
_publ_author_name
'Morozov, V.A.'
'Lazoryak, B.I.'
'Smirnov, V.A.'
'Khaikina, E.G.'
'Mikhailin, V.V.'
'Basovich, O.M.'
_publ_section_title
;
 Crystal structure and luminescence properties of ternary molybdates Li M
 Nd2 (Mo O4)4 (M = K, Rb, Tl)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              977
_journal_page_last               982
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Li Mo4 Nd2 O16 Tl'
_chemical_name_systematic        'Li Tl Nd2 (Mo O4)4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.625
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3131
_cell_length_b                   12.937
_cell_length_c                   19.617
_cell_volume                     1346.971
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Morozov_ZNOKAQ_2001_117.cif
_cod_data_source_block           Li1Mo4Nd2O16Tl1
_cod_original_formula_sum        'Li1 Mo4 Nd2 O16 Tl1'
_cod_database_code               1531883
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
O8 O-2 0.665 0.173 0.0489 1 0.0
O1 O-2 0.766 0.341 0.1365 1 0.0
O3 O-2 0.251 0.294 0.2102 1 0.0
Nd1 Nd+3 0.4995 0.3525 0.0345 1 0.0
O5 O-2 0.255 0.02 0.0407 1 0.0
O4 O-2 0.178 0.247 0.0663 1 0.0
Mo1 Mo+6 0.0116 0.255 0.1497 1 0.0
O7 O-2 0.378 0.09 0.1727 1 0.0
Li1 Li+1 0 0.686 0.25 1 0.0
Tl1 Tl+1 0 0.9665 0.25 1 0.0
O6 O-2 0.708 0.969 0.0969 1 0.0
Mo2 Mo+6 0.5084 0.0622 0.0917 1 0.0
O2 O-2 0.869 0.147 0.1697 1 0.0
