#------------------------------------------------------------------------------
#$Date: 2010-01-20 10:24:45 +0200 (Wed, 20 Jan 2010) $
#$Revision: 950 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001360.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_1001360
loop_
_publ_author_name
'Gasperin, M'
_publ_section_title
;
Synthese et structure du diborouranate de magnesium, Mg B~2~ U O~7~.
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2264
_journal_page_last               2266
_journal_volume                  43
_journal_year                    1987
_chemical_formula_structural     'Mg B2 U O7'
_chemical_formula_sum            'B2 Mg O7 U'
_chemical_name_systematic
;
Magnesium diborouranate - prepared at 1473 K
;
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_H-M   'P c a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.747(3)
_cell_length_b                   7.315(2)
_cell_length_c                   7.911(2)
_cell_volume                     564.0
_exptl_crystal_thermal_history   'prepared at 1473 K'
_refine_ls_R_factor_all          0.034
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,1/2+z
1/2-x,y,-z
1/2+x,-y,1/2-z
-x,-y,-z
x,y,1/2-z
1/2+x,-y,z
1/2-x,y,1/2+z
loop_
_atom_type_symbol
_atom_type_oxidation_number
U6+ 6.000
Mg2+ 2.000
B3+ 3.000
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
U1 U6+ 4 d 0.0501(1) 0.2255(1) 0.25 1. 0 d
Mg1 Mg2+ 4 d 0.4519(2) 0.2353(3) 0.25 1. 0 d
B1 B3+ 4 d 0.2135(7) 0.5318(9) 0.25 1. 0 d
B2 B3+ 4 d 0.2581(7) 0.8739(8) 0.25 1. 0 d
O1 O2- 4 d 0.2685(5) 0.3623(6) 0.25 1. 0 d
O2 O2- 4 d 0.8686(5) 0.0169(6) 0.25 1. 0 d
O3 O2- 8 e 0.0484(4) 0.2278(5) 0.4764(5) 1. 0 d
O4 O2- 4 d 0.0750(5) 0.5444(6) 0.25 1. 0 d
O5 O2- 4 d 0.7997(5) 0.3147(6) 0.25 1. 0 d
O6 O2- 4 d 0.6268(5) 0.0745(6) 0.25 1. 0 d