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#$Date: 2025-08-21 02:27:06 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301840 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/42/4344235.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_4344235
loop_
_publ_author_name
'Araya, M. A.'
'Cotton, F. A.'
'Daniels, M. N.'
'Falvello, L. R.'
'Murillo, C. A.'
_publ_section_title
;
 Solid solitions of a Jahn-Teller compound in an undistorted host. 3. The
 chromium/zinc Tutton salt system
;
_journal_issue                   22
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4853
_journal_page_last               4860
_journal_paper_doi               10.1021/ic00074a033
_journal_volume                  32
_journal_year                    1993
_chemical_formula_sum            'H20 N2 O14 S2 Zn'
_chemical_name_systematic        '(N H4)2 (Zn (H2 O)6) (S O4)2'
_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                 106.87
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.254
_cell_length_b                   12.5
_cell_length_c                   9.224
_cell_volume                     690.055
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Araya_INOCAJ_1993_1193.cif
_cod_data_source_block           H20N2O14S2Zn1
_cod_original_cell_volume        690.0547
_cod_original_formula_sum        'H20 N2 O14 S2 Zn1'
_cod_database_code               4344235
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
O1 O-2 0.1652 0.1088 0.1709 1 0.0 2
S1 S+6 -0.2603 0.3632 -0.0924 1 0.0 0
O5 O-2 -0.2151 0.4244 0.048 1 0.0 0
N1 N-3 0.3579 0.3484 0.1364 1 0.0 4
O4 O-2 -0.4085 0.2711 -0.0881 1 0.0 0
Zn1 Zn+2 0 0 0 1 0.0 0
O7 O-2 -0.0502 0.3221 -0.1151 1 0.0 0
O3 O-2 0.3009 -0.0682 0.0005 1 0.0 2
O2 O-2 0.0354 0.1115 -0.1624 1 0.0 2
O6 O-2 -0.3769 0.4325 -0.2204 1 0.0 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139143305
