#------------------------------------------------------------------------------
#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/52/9005221.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9005221
loop_
_publ_author_name
'Piret, P.'
'Piret-Meunier J'
_publ_section_title
;
 Structure de la seelite de Rabejac (France)
 Locality: Rabejac, France
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              673
_journal_page_last               677
_journal_volume                  6
_journal_year                    1994
_chemical_formula_sum            'As2 H42 Mg O17.6 U2'
_chemical_name_mineral           Seelite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.70
_cell_angle_gamma                90
_cell_length_a                   18.194
_cell_length_b                   7.071
_cell_length_c                   6.670
_cell_volume                     845.826
_exptl_crystal_density_diffrn    3.825
_[local]_cod_chemical_formula_sum_orig 'U2 As2 Mg O17.6 H42'
_cod_database_code               9005221
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
U 0.02610 0.00890 0.01040 0.00000 0.00380 0.00000
As 0.03130 0.01720 0.01470 0.00000 0.00590 0.00000
Mg 0.01800 0.04400 0.04000 0.00000 0.00500 0.00000
O1 0.03000 0.04100 0.03200 0.00000 0.00500 0.00000
O2 0.03300 0.04500 0.03000 0.00000 -0.01300 0.00000
O3 0.04300 0.01600 0.01700 0.00000 0.01400 0.00000
O5 0.06900 0.01300 0.02000 0.00500 0.01800 0.00300
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
U 0.24115 0.00000 0.12810 1.00000 0.01500
As 0.20770 0.50000 0.32410 1.00000 0.02080
Mg 0.00000 0.00000 0.50000 1.00000 0.03400
O1 0.34100 0.00000 0.21000 1.00000 0.03400
O2 0.14200 0.00000 0.05100 1.00000 0.03800
O3 0.22600 0.00000 0.45900 1.00000 0.02400
O4 0.11300 0.50000 0.34000 0.30000 0.07000
O5 0.24000 0.67700 0.17800 1.00000 0.03300
Wat6 0.08600 0.18200 0.51800 0.30000 0.07000
Wat7 0.00300 0.00000 0.20100 0.30000 0.06000
Wat61 0.10400 0.15300 0.55100 0.35000 0.06000
Wat8 -0.03800 0.15800 0.72900 0.35000 0.08000
Wat9 0.04800 -0.20300 0.72000 0.35000 0.11000
Wat10 0.50000 0.00000 0.00000 0.30000 0.10000
Wat11 -0.00100 0.50000 0.17800 0.35000 0.13000