data_1011280
_chemical_name_systematic          'Calcium chloride'
_chemical_name_mineral             'Hydrophilite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Ca Cl2'
_chemical_formula_sum              'Ca Cl2'
_publ_section_title
;
Die Kristallstruktur von Calciumchlorid, Ca Cl2
;
loop_
_publ_author_name
  'van=Bever, A K'
  'Nieuwenkamp, W'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    90
_journal_year                      1935
_journal_page_first                374
_journal_page_last                 376
_cell_length_a                     6.24
_cell_length_b                     6.43
_cell_length_c                     4.2
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       168.5
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.22
_symmetry_space_group_name_H-M     'P n n m'
_symmetry_Int_Tables_number        58
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Cl1-  -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ca1   Ca2+   2 a 0. 0. 0. 1.  0 d
  Cl1   Cl1-   4 g 0.275(8) 0.325(8) 0. 1.  0 d