data_global
_chemical_name_mineral 'Heinrichite'
loop_
_publ_author_name
'Locock A J'
'Burns P C'
'Flynn T M'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 721
_journal_page_last 733
_publ_section_title
;
 Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet
;
_database_code_amcsd 0006009
_chemical_formula_sum 'U2 As2 Ba O22 H20'
_cell_length_a 7.1548
_cell_length_b 7.1340
_cell_length_c 21.290
_cell_angle_alpha 90
_cell_angle_beta 104.171
_cell_angle_gamma 90
_cell_volume 1053.623
_exptl_crystal_density_diffrn      3.579
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-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
U   0.28610   0.74880   0.04400   0.01300
As   0.24620   0.24860   0.00110   0.01400
Ba   0.50000  -0.04170   0.25000   0.02400
O1   0.35200   0.75280   0.13080   0.01900
O2   0.32000   0.43230   0.05020   0.02200
O3   0.24360   0.06350   0.04970   0.02100
O4   0.39660   0.21120  -0.04690   0.01900
O5   0.02840   0.28570  -0.04770   0.02100
O6   0.22340   0.74730  -0.04180   0.02400
Wat7   0.14060   0.10120   0.17470   0.04300
Wat8   0.75290  -0.00490   0.16230   0.04300
Wat9   0.52520   0.30460   0.17720   0.04800
Wat10   0.28060   0.63240   0.26150   0.04300
Wat11   0.01890   0.50710   0.33730   0.05100
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
U 0.01200 0.01100 0.01500 0.00000 0.00300 0.00000
As 0.01200 0.01100 0.01900 0.00000 0.00400 0.00000
Ba 0.02500 0.02500 0.02000 0.00000 0.00300 0.00000
O1 0.02200 0.01500 0.02100 0.00200 0.00400 0.00000
O2 0.03200 0.01100 0.02000 -0.00400 0.00300 -0.00400
O3 0.02700 0.01100 0.02700 0.00000 0.01100 0.00400
O4 0.01200 0.02400 0.02400 -0.00300 0.00900 -0.00200
O5 0.01400 0.02600 0.02500 -0.00100 0.00500 0.00200
O6 0.02700 0.02800 0.01800 0.00100 0.00700 0.00100
Wat7 0.03300 0.04900 0.04700 0.00700 0.00900 -0.00500
Wat8 0.05100 0.04800 0.03200 -0.01500 0.01500 -0.00200
Wat9 0.06300 0.03500 0.03800 -0.00300 0.00000 0.00100
Wat10 0.04100 0.04800 0.03900 -0.00900 0.00800 -0.00400
Wat11 0.06400 0.06100 0.03100 0.01500 0.01500 0.00900