#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002688.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_2002688
_chemical_name_systematic          'Europium(II) beryllium dineodymium oxide'
_chemical_formula_structural       'Eu Be Nd2 O5'
_chemical_formula_sum              'Be Eu Nd2 O5'
_publ_section_title
;
Eu3+ und Eu2+ in Oxometallaten der Zusammensetzung M Be Ln2 O5: Sr Be
Eu2 O5 und Eu Be Nd2 O5
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Muenchau, S'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    620
_journal_year                      1994
_journal_page_first                1033
_journal_page_last                 1036
_cell_length_a                     9.5338(14)
_cell_length_b                     7.2249(11)
_cell_length_c                     6.5443(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       450.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nd3+   3.000
  Eu2+   2.000
  Be2+   2.000
  O2-   -2.000
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
  Nd1   Nd3+   4 c 0.9755(1) 0.25 0.5968(2) 1.  0 d
  Eu1   Eu2+   8 d 0.8269(1) 0.0224(1) 0.0807(1) 0.5  0 d
  Nd2   Nd3+   8 d 0.8269(1) 0.0224(1) 0.0807(1) 0.5  0 d
  Be1   Be2+   4 c 0.0983(10) 0.25 0.1865(11) 1.  0 d
  O1    O2-    8 d 0.435(1) 0.940(1) 0.810(1) 1.  0 d
  O2    O2-    4 c 0.224(1) 0.25 0.665(1) 1.  0 d
  O3    O2-    4 c 0.273(1) 0.25 0.135(1) 1.  0 d
  O4    O2-    4 c 0.507(1) 0.25 0.520(1) 1.  0 d
_refine_ls_R_factor_all            0.072