#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002256.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_2002256
loop_
_publ_author_name
'Schweizer, M'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kenntnis von Be4 Pr9 O20'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              173
_journal_page_last               178
_journal_paper_doi               10.1002/zaac.19814821121
_journal_volume                  482
_journal_year                    1981
_chemical_formula_structural     'Be4 Pr9 O20'
_chemical_formula_sum            'Be4 O20 Pr9'
_chemical_name_systematic        'Tetraberyllium nonapraseodymium oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.541
_cell_length_b                   6.557
_cell_length_c                   7.227
_cell_volume                     452.1
_refine_ls_R_factor_all          0.052
_cod_database_code               2002256
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,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 a 0.1059 0.8061 0.508 1. 0 d
Pr1 Pr4+ 4 a 0.177 0.0852 0.25 0.625 0 d
Pr2 Pr4+ 4 a 0.3328 0.5724 0.2992 0.625 0 d
Pr3 Pr4+ 4 a 0.0255 0.5986 0.0165 1. 0 d
O1 O2- 4 a 0.495 0.522 0.005 1. 0 d
O2 O2- 4 a 0.275 0.833 0.014 1. 0 d
O3 O2- 4 a 0.431 0.187 0.197 1. 0 d
O4 O2- 4 a 0.067 0.701 0.319 1. 0 d
O5 O2- 4 a 0.226 0.365 0.039 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Be2+ 2.000
Pr4+ 3.560
O2- -2.000
