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#$Date: 2015-10-10 04:24:23 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164250 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536515.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_1536515
loop_
_publ_author_name
'Pavlyuk, V.V.'
'Kevorkov, D.G.'
'Bodak, O.I.'
'Pecharskii, V.K.'
_publ_section_title
;
 Crystal structure of Cu119 Li145 Si177
;
_journal_name_full               Kristallografiya
_journal_page_first              188
_journal_page_last               189
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'Cu114.37 Li147 Si178.15'
_chemical_name_systematic        'Li147 Cu114.37 Si178.15'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.137
_cell_length_b                   13.137
_cell_length_c                   41.64
_cell_volume                     6223.487
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pavlyuk_KRISAJ_1995_1493.cif
_cod_data_source_block           Cu114.37Li147Si178.15
_cod_original_cell_volume        6223.486
_cod_database_code               1536515
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Li6 Li 0.5424 0.0848 0.6051 1 0.0
Cu2 Cu 0.6669 0.9946 0.30193 0.731 0.0
Si7 Si 0.2124 0.1062 0.4609 0.98 0.0
Cu11 Cu 0.0636 0.1272 0.43117 0.36 0.0
Li2 Li 0 0 0.301 1 0.0
Si4 Si 0.2274 0.1137 0.61639 0.43 0.0
Cu10 Cu 0.6657 0.1474 0.273 0.291 0.0
Si2 Si 0.233 0.1165 0.51766 0.31 0.0
Si1 Si 0.6669 0.9946 0.30193 0.269 0.0
Si9 Si 0.1753 0.1782 0.66574 0.809 0.0
Si3 Si 0.5519 0.1038 0.047 0.42 0.0
Cu3 Cu 0.233 0.1165 0.51766 0.628 0.0
Li8 Li 0.628 -0.001 0.9021 1 0.0
Li1 Li 0 0 0.374 1 0.0
Cu1 Cu 0.2123 0.10615 0.20937 1 0.0
Li7 Li 0.626 0 0.5 1 0.0
Cu6 Cu 0.5419 0.0838 0.4427 0.02 0.0
Cu4 Cu 0.5519 0.1038 0.047 0.58 0.0
Si11 Si 0.6657 0.1474 0.273 0.709 0.0
Cu7 Cu 0.1227 0.06135 0.7601 0.1 0.0
Si8 Si 0.1227 0.06135 0.7601 0.9 0.0
Li3 Li 0.547 0.094 0.2195 1 0.0
Cu8 Cu 0.1753 0.1782 0.66574 0.191 0.0
Si10 Si 0.5594 0.1188 0.14555 0.79 0.0
Li10 Li 0 0 0.5 1 0.0
Si13 Si 0.1247 0.06235 0.15484 0.54 0.0
Si6 Si 0.5419 0.0838 0.4427 0.98 0.0
Cu9 Cu 0.5594 0.1188 0.14555 0.21 0.0
Li5 Li 0.5407 0.0814 0.3355 1 0.0
Si5 Si 0 0 0.0311 1 0.0
Si12 Si 0.0636 0.1272 0.43117 0.64 0.0
Li9 Li 0.5392 0.0784 0.7262 1 0.0
Cu5 Cu 0.2274 0.1137 0.61639 0.57 0.0
Cu12 Cu 0.1247 0.06235 0.15484 0.46 0.0
Li4 Li 0 0 0.095 1 0.0
