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#$Date: 2017-11-23 18:59:45 +0200 (Thu, 23 Nov 2017) $
#$Revision: 203505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/74/2107437.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107437
loop_
_publ_author_name
'Evans, Jr., H. T.'
'Konnert, J. A.'
'Chou, I. M.'
'Romankiw, L. A.'
_publ_section_title
;
 A Crystal Chemical Study of the System CsCl-NaCl-H₂O; Structures
 of the CsCl Derivative Compounds Cs₁₋ₓ(NaH₂O)ₓCl,
 CsNa₂Cl₃(H₂O)₂, and Cs₂CaCl₄(H₂O)₂
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              86
_journal_page_last               92
_journal_paper_doi               10.1107/s0108768184001798
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Ca Cl4 Cs2 H4 O2'
_chemical_name_systematic        'Cs2 Ca Cl4 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.28
_cell_angle_beta                 96.19
_cell_angle_gamma                65.23
_cell_formula_units_Z            1
_cell_length_a                   6.9038
_cell_length_b                   7.5127
_cell_length_c                   5.8774
_cell_volume                     275.174
_cod_data_source_file            Evans_ASBSDK_1984_1333.cif
_cod_data_source_block           H4Ca1Cl4Cs2O2
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-11-23
;
_cod_original_cell_volume        275.1736
_cod_original_formula_sum        'H4 Ca1 Cl4 Cs2 O2'
_cod_database_code               2107437
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
Cs1 Cs+1 0.1568 0.1227 0.2557 1 0.0 0
Ca1 Ca+2 0.5 0.5 0.5 1 0.0 0
Cl1 Cl-1 0.6294 0.1697 0.2357 1 0.0 0
Cl2 Cl-1 0.1 0.6324 0.2638 1 0.0 0
O1 O-2 0.3789 0.3443 0.7582 1 0.0 2
