data_9015350
_publ_section_title
;
 On the crystal structure of gypsum Ca S O4 (H2 O)2
 _cod_database_code 1010981
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              375
_journal_page_last               396
_journal_volume                  94
_journal_year                    1936
_chemical_formula_sum            'Ca O6 S'
_chemical_name_mineral           Gypsum
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 151.55
_cell_angle_gamma                90
_cell_length_a                   10.47
_cell_length_b                   15.15
_cell_length_c                   6.51
_cell_volume                     491.931
_database_code_amcsd             0017897
_exptl_crystal_density_diffrn    2.270
_[local]_cod_chemical_formula_sum_orig 'Ca S O6'
_cod_database_code               9015350
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.00000 0.42000 0.25000
S1 0.00000 0.08300 -0.25000
O1 0.03300 0.14000 -0.01800
O2 0.24100 0.02600 0.06600
O3 0.12800 0.31400 0.16500
