#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/25/2002511.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_2002511
loop_
_publ_author_name
'Schroeder, F'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Europium als Erdalkali- und Lanthanoidelement in Eu Be Eu2 O5 (sowie
zur Kenntnis von Ca Be Pr2 O5)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              59
_journal_page_last               64
_journal_paper_doi               10.1002/zaac.19885630109
_journal_volume                  563
_journal_year                    1988
_chemical_formula_structural     'Eu Be Eu2 O5'
_chemical_formula_sum            'Be Eu3 O5'
_chemical_name_systematic        'Europium(II) beryllium dieuropium oxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.37(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1749(7)
_cell_length_b                   6.5061(16)
_cell_length_c                   9.4708(11)
_cell_volume                     442.1
_refine_ls_R_factor_all          0.07
_cod_database_code               2002511
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-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
Be1 Be2+ 4 e 0.254(5) 0.193(6) 0.101(4) 1. 0 d
Eu1 Eu3+ 4 e 0.2507(2) 0.5960(2) 0.9762(1) 1. 0 d
Eu2 Eu3+ 4 e 0.5222(2) 0.9181(2) 0.1755(1) 1. 0 d
Eu3 Eu2+ 4 e 0.0202(2) 0.0813(2) 0.8277(1) 1. 0 d
O1 O2- 4 e 0.941(3) 0.808(3) 0.432(2) 1. 0 d
O2 O2- 4 e 0.443(3) 0.184(3) 0.570(2) 1. 0 d
O3 O2- 4 e 0.278(3) 0.668(3) 0.222(2) 1. 0 d
O4 O2- 4 e 0.268(3) 0.133(3) 0.274(2) 1. 0 d
O5 O2- 4 e 0.266(3) 0.522(3) 0.506(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Be2+ 2.000
Eu3+ 3.000
Eu2+ 2.000
O2- -2.000
