data_9009831
_publ_section_title
;
 Crystal structure refinements of synthetic
 chalcocyanite (CuSO4) and zincosite (ZnSO4)
 Locality: synthetic
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              201
_journal_page_last               209
_journal_paper_doi               10.1007/BF01163035
_journal_volume                  39
_journal_year                    1988
_chemical_formula_sum            'O4 S Zn'
_chemical_name_mineral           Zinkosite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.604
_cell_length_b                   6.746
_cell_length_c                   4.774
_cell_volume                     277.095
_exptl_crystal_density_diffrn    3.870
_[local]_cod_chemical_formula_sum_orig 'Zn S O4'
_cod_database_code               9009831
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
Zn 0.02470 0.02180 0.02710 0.01100 -0.01640 -0.01320
S 0.00820 0.01140 0.00800 0.00000 -0.00070 0.00000
O1 0.01650 0.01870 0.00900 0.00000 0.00230 0.00000
O2 0.00850 0.01400 0.01550 0.00000 0.00080 0.00000
O3 0.01580 0.01410 0.01320 -0.00200 -0.00300 -0.00230
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn 0.00000 0.00000 0.00000 0.02450
S 0.18029 0.25000 0.46659 0.00920
O1 0.12790 0.25000 0.76220 0.01470
O2 0.35450 0.25000 0.45220 0.01260
O3 0.12670 0.06890 0.32950 0.01440
