#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/96/1529632.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_1529632
loop_
_publ_author_name
'Berroth, K.'
'Simon, A.'
_publ_section_title
;
 Neue metallreiche Erbiumjodide mit kondensierten Clustern: Er7 I10 und
 Er4 I5
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              41
_journal_page_last               54
_journal_volume                  76
_journal_year                    1980
_chemical_formula_sum            'Er6.7 I10.5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.56
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.966
_cell_length_b                   4.187
_cell_length_c                   14.585
_cell_volume                     1271.956
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Berroth_JCOMAH_1980_585.cif
_cod_data_source_block           Er6.7I10.5
_cod_database_code               1529632
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
I5 I-1 0.0848 0 0.9278 1 0.0
Er1 Er+1 0.5 0 0 0.7 0.0
Er2 Er+1 0.1728 0 0.7575 1 0.0
I6 I-1 0.7508 0 0.3782 0.25 0.0
Er4 Er+1 0.3231 0 0.4717 1 0.0
I3 I-1 0.4132 0 0.8155 1 0.0
I1 I-1 0.4222 0 0.3228 1 0.0
I4 I-1 0.2522 0 0.121 1 0.0
Er3 Er+1 0.1777 0 0.2951 1 0.0
I2 I-1 0.0798 0 0.4328 1 0.0
