#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/98/9009873.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009873
loop_
_publ_author_name
'Morosin, B.'
_publ_section_title
;Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt
 chloride dihydrate Sample: at T = 5 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              252
_journal_page_last               257
_journal_paper_doi               10.1063/1.1726454
_journal_volume                  44
_journal_year                    1966
_chemical_formula_structural     CoCl2(H2O)2
_chemical_formula_sum            'Cl2 Co H4 O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.60
_cell_angle_gamma                90
_cell_length_a                   7.2069
_cell_length_b                   8.4978
_cell_length_c                   3.5639
_cell_formula_units_Z            2
_cell_volume                     216.346
_database_code_amcsd             0012977
_diffrn_ambient_temperature      5
_exptl_crystal_density_diffrn    2.546
_cod_original_formula_sum        'Co Cl2 O2 H4'
_cod_database_code               9009873
_amcsd_formula_title             CoCl2(H2O)2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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
_atom_site_U_iso_or_equiv
Co 0.00000 0.00000 0.00000 -0.00005
Cl 0.23850 0.00000 0.56160 -0.00101
O 0.00000 0.23960 0.00000 0.00013
H 0.09000 0.30900 0.13900 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012977