data_global
_chemical_name_mineral 'Jagowerite'
loop_
_publ_author_name
'Meagher E P'
'Gibbons C S'
'Trotter J'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 291
_journal_page_last 295
_publ_section_title
;
 The crystal structure of jagowerite: BaAl2P2O8(OH)2
;
_database_code_amcsd 398
_chemical_formula_sum 'Ba Al2 P2 O10 H2'
_cell_length_a 6.049
_cell_length_b 6.964
_cell_length_c 4.971
_cell_angle_alpha 116.51
_cell_angle_beta 86.06
_cell_angle_gamma 112.59
_cell_volume 171.667
_exptl_crystal_density_diffrn  4.017
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba   0.0  0.0  0.0
Al   0.367  0.7484  0.4527
P   0.8033  0.5917  0.2715
O1   0.745  0.5331  -0.0573
O2   0.7665  0.3707  0.2985
O3   0.0666  0.7729  0.3842
O4   0.6514  0.7156  0.4795
O-H   0.528  0.9419  0.2389
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
Ba   0.01011  0.00946  0.00592  0.00231  0.00126  0.00203
Al   0.0028  0.00465  0.00375  0.00225  0.0005  0.00141
P   0.00249  0.00365  0.00257  0.00193  0.00062  0.00077
O1   0.00887  0.00813  0.00385  0.00402  0.0005  0.0023
O2   0.007  0.00664  0.00671  0.00321  0.00087  0.00333
O3   0.00373  0.00647  0.00849  0.00241  0.00657  0.00256
O4   0.00545  0.00647  0.00671  0.00386  0.00037  0.00128
O-H   0.00778  0.00547  0.00405  0.00241  0.0005  0.00128