data_global
_chemical_name_mineral '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
;
_database_code_amcsd 0005154
_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
_exptl_crystal_density_diffrn      3.995
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_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_U_iso_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
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
Cu1 0.01077 0.01350 0.00417 -0.00568 0.00000 0.00000
Cu2 0.00629 0.01229 0.01663 0.00072 0.00000 0.00000
P 0.00563 0.00659 0.00564 -0.00079 0.00000 0.00000
O1 0.01857 0.01677 0.00859 -0.00866 -0.00685 0.00455
O2 0.01017 0.00915 0.00466 -0.00435 0.00000 0.00000
O3 0.00678 0.00840 0.04317 0.00027 0.00000 0.00000
O-h4 0.00675 0.00912 0.00864 0.00024 0.00000 0.00000