#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/66/4336696.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_4336696
loop_
_publ_author_name
'Keitaro Tezuka'
'Yoshimi Tokuhara'
'Makoto Wakeshima'
'Yue Jin Shan'
'Hideo Imoto'
'Yukio Hinatsu'
_publ_section_title
;
 Crystal Structures and Properties of Europium Aluminum Oxynitride
 Eu2AlO3.75N0.1 and Europium Aluminum Oxide EuAl2O4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12972
_journal_page_last               12979
_journal_paper_doi               10.1021/ic4013334
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Al Eu2 N0.1 O3.75'
_chemical_formula_sum            'Al Eu2 N0.1 O3.75'
_chemical_formula_weight         392.308
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_audit_update_record
;
2013-05-30 # Formatted by publCIF
;
_cell_angle_alpha                90
_cell_angle_beta                 90.6860(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.71128(23)
_cell_length_b                   3.68935(24)
_cell_length_c                   12.3900(8)
_cell_measurement_temperature    298
_cell_volume                     169.634(19)
_diffrn_measurement_device_type  'Rigaku RINT2200'
_diffrn_radiation_type           CuKa1
_diffrn_radiation_wavelength     1.540593
_exptl_crystal_density_diffrn    7.680545
_exptl_crystal_F_000             339.400
_pd_phase_name                   Eu2AlO3.75N0.1
_cod_data_source_file            ic4013334_si_001.cif
_cod_data_source_block           Eu2AlO3.75N0.1
_cod_original_cell_volume        169.63(2)
_cod_original_sg_symbol_Hall     I2y
_cod_original_sg_symbol_H-M      'I 2'
_cod_database_code               4336696
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Eu1 1.0 0.49682(16) 0.504(13) 0.85755(4) Biso 0.606546 Eu
Al 1.0 0.000000 0.000000 0.000000 Biso 0.883369 Al
O1 0.9375 0.000000 0.539(15) 0.000000 Biso 0.324513 O
O2 0.9375 0.000000 0.52(3) 0.500000 Biso 1.670016 O
O3 0.9375 0.4980(17) 0.51(3) 0.6660(4) Biso 0.835916 O
N1 0.0250 0.000000 0.539(15) 0.000000 Biso 0.324513 n
N2 0.0250 0.000000 0.52(3) 0.500000 Biso 1.670016 n
N3 0.0250 0.4980(17) 0.51(3) 0.6660(4) Biso 0.835916 n
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Eu1 0.00768 0.00768 0.00768 0.00000 0.00009 0.00000
Al 0.01119 0.01119 0.01119 0.00000 0.00013 0.00000
O1 0.00411 0.00411 0.00411 0.00000 0.00005 0.00000
O2 0.02115 0.02115 0.02115 0.00000 0.00025 0.00000
O3 0.01059 0.01059 0.01059 0.00000 0.00013 0.00000
N1 0.00411 0.00411 0.00411 0.00000 0.00005 0.00000
N2 0.02115 0.02115 0.02115 0.00000 0.00025 0.00000
N3 0.01059 0.01059 0.01059 0.00000 0.00013 0.00000
