#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011365.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_9011365
loop_
_publ_author_name
'Elerman, Y.'
_publ_section_title
;
 Refinement of the crystal structure of CoSO4*6H2O
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              599
_journal_page_last               601
_journal_paper_doi               10.1107/S0108270187012447
_journal_volume                  44
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Co H12 O10 S'
_chemical_name_mineral           Moorhouseite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.42
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.022
_cell_length_b                   7.217
_cell_length_c                   24.224
_cell_volume                     1733.207
_database_code_amcsd             0010070
_exptl_crystal_density_diffrn    2.016
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
                                  miguel
;
_cod_original_formula_sum        'Co S O10 H12'
_cod_database_code               9011365
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
Co1 0.00000 0.00000 0.00000 0.02080
Co2 0.00000 0.94810 0.25000 0.01790
S 0.86850 0.45200 0.12450 0.02190
O1 0.77420 0.60300 0.13490 0.02860
O2 0.98210 0.44620 0.16960 0.04280
O3 0.91640 0.49770 0.07040 0.03700
O4 0.79880 0.27290 0.11910 0.03060
O5 0.59650 0.72340 0.04520 0.03050
O6 0.53480 0.32950 0.06820 0.04290
O7 0.30800 0.55400 0.02150 0.04200
O8 0.88410 0.15750 0.28120 0.03010
O9 0.88700 0.74450 0.28200 0.03800
O10 0.85890 0.95060 0.17860 0.03770
H51 0.64100 0.69700 0.07600 0.02400
H52 0.56400 0.79500 0.05300 0.02500
H61 0.48700 0.21000 0.06400 0.02300
H62 0.58600 0.32200 0.09000 0.05100
H71 0.26700 0.50200 0.00100 0.04200
H72 0.30000 0.62300 0.04600 0.03400
H81 0.81500 0.15000 0.27000 0.07100
H82 0.90400 0.28500 0.28800 0.04100
H91 0.81200 0.71800 0.28400 0.05700
H92 0.90700 0.85000 0.29600 0.04100
H101 0.84500 0.06900 0.17200 0.02300
H102 0.79000 0.93000 0.20100 0.05600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010070
