#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/70/1527058.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1527058
loop_
_publ_author_name
'von Schnering, H.G.'
'Brand, B.H.'
_publ_section_title
;
 Struktur ind Eigenschaften des blauen Chrom(II)-chlorid-tetrahydrats Cr
 Cl2 (H2 O)4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              159
_journal_page_last               168
_journal_volume                  402
_journal_year                    1973
_chemical_formula_sum            'Cl2 Cr H8 O4'
_chemical_name_systematic        'Cr Cl2 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.904
_cell_length_b                   7.339
_cell_length_c                   8.347
_cell_volume                     339.643
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1973_907.cif
_cod_data_source_block           H8Cl2Cr1O4
_cod_original_cell_volume        339.6431
_cod_original_formula_sum        'H8 Cl2 Cr1 O4'
_cod_database_code               1527058
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
Cr1 Cr+2 0 0 0 1 0.0 0
Cl1 Cl-1 0.3172 0.2895 0.0787 1 0.0 0
O2 O-2 -0.2778 0.1893 -0.0672 1 0.0 2
O1 O-2 0.0052 0 0.2505 1 0.0 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139045992
