data_global
_chemical_name_mineral 'Legrandite'
loop_
_publ_author_name
'Pushcharovskii D Y'
'Pobedimskaya E A'
'Belov N V'
_journal_name_full 'Soviet Physics Doklady'
_journal_volume 16 
_journal_year 1971
_journal_page_first 419
_journal_page_last 421
_publ_section_title
;
 The crystal structure of legrandite Zn2[AsO4]OH*H2O
;
_database_code_amcsd 0015593
_chemical_compound_source 'Ojuela mine, Mexico'
_chemical_formula_sum 'Zn2 As O6 H3'
_cell_length_a 12.76
_cell_length_b 7.93
_cell_length_c 10.21
_cell_angle_alpha 90
_cell_angle_beta 104.4
_cell_angle_gamma 90
_cell_volume 1000.660
_exptl_crystal_density_diffrn      4.045
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Zn1   0.36200   0.30500   0.12800
Zn2   0.74700   0.33100   0.03800
Zn3   0.99000   0.24200   0.05900
Zn4   0.59600   0.04900   0.11100
As1   0.85000   0.05500   0.28100
As2   0.61500   0.42200   0.28500
O1   0.64200   0.33700   0.44800
O2   0.26800   0.45400   0.25600
O3   0.86600   0.18100   0.15600
O4   0.65900   0.28500   0.18600
O5   0.05000   0.40600   0.20600
O6   0.86000   0.15800   0.41900
O7   0.31800   0.10000   0.21000
O8   0.47500   0.44600   0.24100
O-H1   0.27200   0.08000   0.46700
O-H2   0.44200   0.34300   0.51400
Wat1   0.08800   0.23400   0.43500
Wat2   0.07700   0.03000   0.14200