data_9004484
_publ_section_title
;
 Rigid-body character of the SO4 groups in celestine, anglesite and
 barite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1053
_journal_page_last               1060
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'O4 Pb S'
_chemical_name_mineral           Anglesite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.9549
_cell_length_b                   8.472
_cell_length_c                   5.3973
_cell_volume                     318.019
_exptl_crystal_density_diffrn    6.334
_[local]_cod_chemical_formula_sum_orig 'Pb S O4'
_cod_database_code               9004484
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
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
Pb 0.02194 0.01293 0.02321 0.00110 0.00000 0.00000
S 0.01240 0.00960 0.00880 -0.00030 0.00000 0.00000
O1 0.02500 0.01400 0.03500 0.00800 0.00000 0.00000
O2 0.01500 0.02200 0.02500 -0.00800 0.00000 0.00000
O3 0.01950 0.01920 0.01290 -0.00240 -0.00570 0.00160
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.16716 0.18798 0.25000
S 0.18490 0.43580 0.75000
O1 0.09460 0.59150 0.75000
O2 0.04240 0.30720 0.75000
O3 0.30900 0.41890 0.97260
