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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/1/53/07/1530727.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_1530727
loop_
_publ_author_name
'Schleid, T.'
'Meyer, G.'
_publ_section_title
;
 Hydrogen(Deuterium)-Stabilized and Lithium-Intercalated Erbium
 Monochloride: An X-Ray Single Crystal and Neutron Powder Diffraction
 Study
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              161
_journal_page_last               171
_journal_volume                  156
_journal_year                    1989
_chemical_formula_sum            'Cl D0.6 Er Li0.4'
_chemical_name_systematic        'Li0.4 Er Cl D0.6'
_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            6
_cell_length_a                   3.6925
_cell_length_b                   3.6925
_cell_length_c                   27.348
_cell_volume                     322.922
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Schleid_JCOMAH_1989_1913.cif
_cod_data_source_block           D0.6Cl1Er1Li0.4
_cod_original_cell_volume        322.9217
_cod_original_formula_sum        'D0.6 Cl1 Er1 Li0.4'
_cod_database_code               1530727
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
Li1 Li 0 0 0 0.86 0.0
Cl1 Cl 0 0 0.3891 1 0.0
D1 D 0 0 0.1356 0.63 0.0
Er1 Er 0 0 0.2159 1 0.0
