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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000127.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_9000127
_chemical_name 'Abernathyite'
loop_
_publ_author_name
'Ross M'
'Evans H T'
_journal_name_full "American Mineralogist"
_journal_volume 49
_journal_year 1964
_journal_page_first 1578
_journal_page_last 1602
_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)2.6
 Sample : Abernathyite - NH4
;
_chemical_formula_sum 'As U O9 N H4'
_cell_length_a 7.189
_cell_length_b 7.189
_cell_length_c 18.191
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 940.142
_symmetry_space_group_name_H-M 'P 4/n c c'
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_Uiso_or_equiv
As   0.75000   0.25000   0.00000   1.00000   0.02128
U   0.25000   0.25000   0.05120   1.00000   0.03217
Oa   0.25000   0.25000   0.15100   1.00000 ?
Ob   0.25000   0.25000   0.95600   1.00000   0.03800
Oc   0.69600   0.07600   0.44700   1.00000 ?
O-Hd   0.15800   0.99300   0.31700   0.75000   0.04179
NH4   0.15800   0.99300   0.31700   0.25000   0.04179