#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004131.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_9004131
_chemical_name 'Libethenite'
loop_
_publ_author_name
'Cordsen A'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 16
_journal_year 1978
_journal_page_first 153
_journal_page_last 157
_publ_section_title
;
 A crystal-structure refinement of libethenite
;
_chemical_formula_sum 'Cu2 P O5 H'
_cell_length_a 8.062
_cell_length_b 8.384
_cell_length_c 5.881
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 397.507
_symmetry_space_group_name_H-M 'P n n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Cu1   0.00000   0.00000   0.24926 ?
Cu2   0.13828   0.62472   0.00000 ?
P   0.23270   0.24835   0.00000 ?
O1   0.34057   0.26073   0.21117 ?
O2   0.13289   0.08893   0.00000 ?
O3   0.10212   0.38378   0.00000 ?
O-h4   0.37622   0.60288   0.00000 ?
H   0.42600   0.72600   0.00000   0.02270