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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/86/1008678.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_1008678
loop_
_publ_author_name
'Verniere, A'
'Lejay, P'
'Bordet, P'
'Chenavas, J'
'Tholence, J L'
'Boucherle, J X'
'Keller, N'
_publ_section_title
;
Crystal structure and physical properties of new ternary silicides R4
T13 X9 (R, rare earth or uranium; T, rhodium or iridium; X, silicon or
germanium)
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              197
_journal_page_last               203
_journal_paper_doi               10.1016/0925-8388(94)01400-0
_journal_volume                  218
_journal_year                    1995
_chemical_formula_structural     'Er4 Ir13 Si9'
_chemical_formula_sum            'Er4 Ir13 Si9'
_chemical_name_systematic        'Erbium iridium silicide (4/13/9)'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2bc'
_symmetry_space_group_name_H-M   'P n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.84799(300)
_cell_length_b                   10.918(2)
_cell_length_c                   3.9153(5)
_cell_volume                     805.7
_refine_ls_R_factor_all          0.023
_cod_original_sg_symbol_H-M      'P n m m Z'
_cod_database_code               1008678
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
x,1/2-y,z
x,1/2-y,1/2-z
-x,-y,-z
-x,-y,1/2+z
-x,1/2+y,-z
-x,1/2+y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Er1 Er3+ 4 f 0.79224(7) 0.0592(1) 0.25 1. 0 d
Er2 Er3+ 2 b 0.4804(1) 0.75 0.25 1. 0 d
Er3 Er3+ 2 a 0.9784(1) 0.25 0.25 1. 0 d
Ir1 Ir2+ 4 f 0.66439(6) 0.0664(1) 0.75 1. 0 d
Ir2 Ir2+ 2 b 0.85797(9) 0.25 0.75 1. 0 d
Ir3 Ir2+ 2 a 0.65711(9) 0.25 0.25 1. 0 d
Ir4 Ir2+ 2 b 0.22752(9) 0.25 0.75 1. 0 d
Ir5 Ir2+ 4 f 0.46076(6) 0.0607(1) 0.25 1. 0 d
Ir6 Ir2+ 4 f 0.04654(6) 0.0496(1) 0.75 1. 0 d
Ir7 Ir2+ 4 f 0.85708(6) 0.8743(1) 0.75 1. 0 d
Ir8 Ir2+ 4 f 0.64473(6) 0.8777(1) 0.25 1. 0 d
Si1 Si4- 2 a 0.6016(7) 0.75 0.75 1. 0 d
Si2 Si4- 4 f 0.5844(4) 0.4304(8) 0.25 1. 0 d
Si3 Si4- 4 f 0.9183(5) 0.0611(9) 0.75 1. 0 d
Si4 Si4- 2 b 0.8975(7) 0.75 0.25 1. 0 d
Si5 Si4- 4 f 0.2708(5) 0.3778(8) 0.25 1. 0 d
Si6 Si4- 2 b 0.2666(6) 0.75 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Er3+ 3.000
Ir2+ 1.846
Si4- -4.000
