data_global
_chemical_name_mineral 'Frankhawthorneite'
loop_
_publ_author_name
'Grice J D'
'Roberts A C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 33 
_journal_year 1995
_journal_page_first 649
_journal_page_last 653
_publ_section_title
;
 Frankhawthorneite, a unique HCP framework structure of a cupric tellurate
;
_database_code_amcsd 0005433
_chemical_formula_sum 'Cu2 Te O6 H2'
_cell_length_a 9.107
_cell_length_b 5.213
_cell_length_c 4.605
_cell_angle_alpha 90
_cell_angle_beta 98.74
_cell_angle_gamma 90
_cell_volume 216.083
_exptl_crystal_density_diffrn      5.421
_symmetry_space_group_name_H-M 'P 1 21/n 1'
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'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.17800   0.53520  -0.00020
Te   0.00000   0.00000   0.00000
O1  -0.01200   0.29700   0.24100
O-H2   0.62800   0.29900   0.26900
O3   0.32600   0.35600   0.27500
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
Cu 0.01150 0.00500 0.01010 0.00180 -0.00200 -0.00080
Te 0.00890 0.00480 0.00420 0.00080 0.00010 -0.00080
O1 0.00600 0.00900 0.00700 -0.00100 -0.00100 0.00200
O-H2 0.00700 0.00900 0.00500 0.00100 0.00100 0.00200
O3 0.01300 0.00500 0.00700 0.00200 -0.00200 0.00300