data_1001110
_chemical_name_systematic          'Calcium chloride tetrahydrate - $-gamma'
_chemical_formula_structural       'Ca Cl2 (H2 O)4'
_chemical_formula_sum              'H8 Ca Cl2 O4'
_publ_section_title
;
La Forme $-gamma du Dichlorure de Calcium Tetrahydrate
;
loop_
_publ_author_name
  'Leclaire, A'
  'Borel, M M'
  'Monier, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    36
_journal_year                      1980
_journal_page_first                2757
_journal_page_last                 2759
_cell_length_a                     6.1387(9)
_cell_length_b                     7.6669(12)
_cell_length_c                     8.9014(37)
_cell_angle_alpha                  90
_cell_angle_beta                   111.00(3)
_cell_angle_gamma                  90
_cell_volume                       391.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Cl1-  -1.000
  O2-   -2.000
  H1+    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 e 0.29901(10) 0.27899(10) 0.07381(6) 1.  0 d
  O1    O2-    4 e 0.31106(41) -0.19653(46) 0.07661(23) 1.  2 d
  O2    O2-    4 e 0.00429(51) -0.00152(40) 0.26223(23) 1.  2 d
  H1    H1+    4 e 0.413(13) 0.218(10) 0.170(9) 1.  0 d
  H2    H1+    4 e 0.407(14) -0.220(11) 0.014(10) 1.  0 d
  H3    H1+    4 e 0.096(24) 0.057(10) 0.334(9) 1.  0 d
  H4    H1+    4 e -0.103(16) -0.037(12) 0.302(11) 1.  0 d
_refine_ls_R_factor_all            0.046