data_global
_chemical_name_mineral 'Variscite'
loop_
_publ_author_name
'Kniep R'
'Mootz D'
'Vegas A'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 33 
_journal_year 1977
_journal_page_first 263
_journal_page_last 265
_publ_section_title
;
 Variscite
;
_database_code_amcsd 0009582
_chemical_compound_source 'Montgomery County, Arkansas, USA'
_chemical_formula_sum 'Al P O6 H4'
_cell_length_a 9.822
_cell_length_b 8.561
_cell_length_c 9.630
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 809.749
_exptl_crystal_density_diffrn      2.592
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,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'
  '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_U_iso_or_equiv
Al   0.13389   0.15500   0.16841 ?
P   0.14779   0.46844   0.35284 ?
O1   0.11180   0.29870   0.31525 ?
O2   0.04030   0.58186   0.29453 ?
O3   0.28545   0.51247   0.29006 ?
O4   0.14997   0.47916   0.51224 ?
OW1   0.06041   0.32564   0.05460 ?
OW2   0.30726   0.23597   0.11499 ?
H11   0.06300   0.31000  -0.02800   0.04813
H12  -0.01200   0.37100   0.06800   0.05066
H21   0.36200   0.20100   0.16800   0.02533
H22   0.31400   0.33400   0.08500   0.05953
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
Al 0.00557 0.00633 0.00545 -0.00013 -0.00012 -0.00063
P 0.00519 0.00557 0.00481 -0.00025 0.00012 0.00013
O1 0.01089 0.00633 0.00772 -0.00190 0.00139 -0.00241
O2 0.00709 0.01203 0.00925 0.00241 0.00089 0.00329
O3 0.00696 0.00937 0.00899 -0.00038 0.00215 0.00279
O4 0.01039 0.00747 0.00583 -0.00025 0.00000 0.00101
OW1 0.01444 0.01469 0.00810 0.00380 -0.00127 -0.00089
OW2 0.00899 0.00988 0.01203 -0.00152 -0.00101 0.00203