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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005283.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_9005283
loop_
_publ_author_name
'Dusausoy Y'
'Ghermani N-E'
'Podor R'
'Cuney M'
_publ_section_title
;
 Low-temperature ordered phase of CaU(PO4)2:
 synthesis and crystal structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              667
_journal_page_last               673
_journal_volume                  8
_journal_year                    1996
_chemical_formula_sum            'Ca O8 P2 U'
_[local]_cod_chemical_formula_sum_orig 'Ca U P2 O8'
_chemical_name_mineral           CaU(PO4)2
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.926
_cell_length_b                   6.958
_cell_length_c                   6.136
_cell_volume                     594.561
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.11710 0.25000 0.39220 0.00557
U 0.37140 0.25000 0.62450 0.00393
P1 0.37030 0.25000 0.12520 0.00532
P2 0.12690 0.25000 0.89440 0.00418
O1 0.20810 0.25000 0.72520 0.00874
O2 0.03250 0.25000 0.76500 0.00760
O3 0.13110 0.07250 0.04530 0.00887
O4 0.36880 0.07810 0.96700 0.00899
O5 0.28680 0.25000 0.29320 0.00975
O6 0.45960 0.25000 0.26960 0.00735