#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000128.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_9000128
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_[local]_cod_cif_authors_sg_H-M  'P 4/n c c'
loop_
_publ_author_name
'Ross M'
'Evans H T'
_publ_section_title
;
 Studies of the torbernite minerals (I): The crystal structure of abernathyite
 and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O
 Sample: Abernathyite - K(H3O)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1578
_journal_page_last               1602
_journal_volume                  49
_journal_year                    1964
_chemical_formula_sum            'As H5.332 K0.5 O9.5 U'
_[local]_cod_chemical_formula_sum_orig 'As U O9.5 K.5 H5.332'
_chemical_name_mineral           Abernathyite
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.171
_cell_length_b                   7.171
_cell_length_c                   18.048
_cell_volume                     928.087
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,1/2+z
1/2+y,1/2+x,1/2-z
1/2+y,-x,-z
1/2-y,x,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
y,x,1/2+z
-y,-x,1/2-z
-y,1/2+x,-z
y,1/2-x,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_occupancy
_atom_site_U_iso_or_equiv
As 0.75000 0.25000 0.00000 1.00000 0.02014
U 0.25000 0.25000 0.05200 1.00000 0.02875
Oa 0.25000 0.25000 0.15000 1.00000 0.04559
Ob 0.25000 0.25000 0.95800 1.00000 0.03673
Oc 0.69600 0.07100 0.44800 1.00000 ?
O-Hd 0.15000 0.99300 0.31500 0.75000 0.05193
O-H3 0.15000 0.99300 0.31500 0.12500 0.05193
K 0.15000 0.99300 0.31500 0.12500 0.05193