#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/09/8100917.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_8100917
_journal_name_full  'Zeitschrift fur Kristallographie - NCS'
_journal_year     2001
_publ_section_title
;
Crystal Structure of trieuropium bis(dinitridoborate)
Eu~3~[BN~2~]~2~
;
loop_
_publ_author_name
  'Carrillo-Cabrera, Wilder'
  'Somer, Mehmet'
  'Peters, Karl'
  'von Schnering, Hans Georg'
_chemical_name_common  'trieuropium bis(dinitridoborate)'
_chemical_formula_sum  'B2 Eu3 N4'
_chemical_formula_structural  'Eu3 [B N2]2'
_chemical_formula_weight  533.54
_symmetry_cell_setting  cubic
_symmetry_space_group_name_H-M  'P m -3 m'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, z'
 '-x, y, -z'
 'x, -y, -z'
 'z, x, y'
 'z, -x, -y'
 '-z, -x, y'
 '-z, x, -y'
 'y, z, x'
 '-y, z, -x'
 'y, -z, -x'
 '-y, -z, x'
 'y, x, -z'
 '-y, -x, -z'
 'y, -x, z'
 '-y, x, z'
 'x, z, -y'
 '-x, z, y'
 '-x, -z, -y'
 'x, -z, y'
 'z, y, -x'
 'z, -y, x'
 '-z, y, x'
 '-z, -y, -x'
 '-x, -y, -z'
 'x, y, -z'
 'x, -y, z'
 '-x, y, z'
 '-z, -x, -y'
 '-z, x, y'
 'z, x, -y'
 'z, -x, y'
 '-y, -z, -x'
 'y, -z, x'
 '-y, z, x'
 'y, z, -x'
 '-y, -x, z'
 'y, x, z'
 '-y, x, -z'
 'y, -x, -z'
 '-x, -z, y'
 'x, -z, -y'
 'x, z, y'
 '-x, z, -y'
 '-z, -y, x'
 '-z, y, -x'
 'z, -y, -x'
 'z, y, x'
_cell_length_a  7.6240(10)
_cell_length_b  7.6240(10)
_cell_length_c  7.6240(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  443.15(10)
_cell_formula_units_Z  3
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  5.998
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.26123(9) 0.26123(9) 0.26123(9) 0.0139(6) Uani 0.975(2) 8 g d SP . .
Eu2A Eu 0.0000 0.0000 0.0000 0.0070(9) Uani 1 1 a d S . .
Eu2B Eu 0.5000 0.5000 0.5000 0.038(8) Uani 0.199(17) 1 b d SP . .
N1 N 0.327(3) 0.0000 0.0000 0.015(5) Uiso 1 6 e d S . .
N2 N 0.174(3) 0.5000 0.5000 0.010(4) Uiso 1 6 f d S . .
B1 B 0.5000 0.0000 0.0000 0.027(13) Uiso 1 3 d d S . .
B2 B 0.0000 0.5000 0.5000 0.015(9) Uiso 1 3 c d S . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.0139(6) 0.0139(6) 0.0139(6) 0.0011(3) 0.0011(3) 0.0011(3)
Eu2A 0.0070(9) 0.0070(9) 0.0070(9) 0.000 0.000 0.000
Eu2B 0.038(8) 0.038(8) 0.038(8) 0.000 0.000 0.000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 N2 2.659(5) 9 ?
Eu1 N2 2.659(5) 5 ?
Eu1 N2 2.659(5) . ?
Eu1 N1 2.860(4) 9 ?
Eu1 N1 2.860(4) . ?
Eu1 N1 2.860(4) 5 ?
Eu1 Eu2B 3.1530(13) . ?
Eu1 B2 3.2549(5) 9 ?
Eu1 B2 3.2549(5) 5 ?
Eu1 B2 3.2549(5) . ?
Eu1 Eu2A 3.4496(13) . ?
Eu1 Eu1 3.6408(15) 27_565 ?
Eu2A N1 2.49(2) . ?
Eu2A N1 2.49(2) 33 ?
Eu2A N1 2.49(2) 9 ?
Eu2A N1 2.49(2) 29 ?
Eu2A N1 2.49(2) 5 ?
Eu2A N1 2.49(2) 25 ?
Eu2A Eu1 3.4496(13) 25 ?
Eu2A Eu1 3.4496(13) 27 ?
Eu2A Eu1 3.4496(13) 28 ?
Eu2A Eu1 3.4496(13) 3 ?
Eu2A Eu1 3.4496(13) 26 ?
Eu2B N2 2.48(2) 9 ?
Eu2B N2 2.48(2) 5 ?
Eu2B N2 2.48(2) . ?
Eu2B N2 2.48(2) 33_666 ?
Eu2B N2 2.48(2) 29_666 ?
Eu2B N2 2.48(2) 25_666 ?
Eu2B Eu1 3.1530(13) 25_666 ?
Eu2B Eu1 3.1530(13) 2_665 ?
Eu2B Eu1 3.1530(13) 28_655 ?
Eu2B Eu1 3.1530(13) 3_656 ?
Eu2B Eu1 3.1530(13) 4_566 ?
N1 B1 1.32(2) . ?
N1 Eu1 2.860(4) 4 ?
N1 Eu1 2.860(4) 26 ?
N1 Eu1 2.860(4) 27 ?
N2 B2 1.33(2) . ?
N2 Eu1 2.659(5) 4_566 ?
N2 Eu1 2.659(5) 26_556 ?
N2 Eu1 2.659(5) 27_565 ?
B2 N2 1.33(2) 25_566 ?
B2 Eu1 3.2549(6) 28 ?
B2 Eu1 3.2549(6) 4_566 ?
B2 Eu1 3.2549(6) 2_565 ?
B2 Eu1 3.2549(6) 26_556 ?
B2 Eu1 3.2549(6) 3_556 ?
B2 Eu1 3.2549(6) 27_565 ?
B2 Eu1 3.2549(5) 25_566 ?
B1 N1 1.32(2) 25_655 ?
_cod_database_code 8100917