#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012360.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_9012360
loop_
_publ_author_name
'Caminiti, R.'
'Marongiu, G.'
'Paschina, G.'
_publ_section_title
;A comparative X-ray diffraction study of aqueous MnSO4 and crystals of
 MnSO4*5H2O Locality: synthetic
;
_journal_name_full               'Zeitschrift fur Naturforschung A'
_journal_page_first              581
_journal_page_last               586
_journal_volume                  37
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H10 Mn O9 S'
_chemical_name_mineral           Jokokuite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.3
_cell_angle_beta                 110.1
_cell_angle_gamma                106.0
_cell_formula_units_Z            2
_cell_length_a                   6.36
_cell_length_b                   10.77
_cell_length_c                   6.16
_cell_volume                     379.620
_database_code_amcsd             0015832
_exptl_crystal_density_diffrn    2.109
_cod_depositor_comments
;
    Z inserted to be consisten with given formula
    Oxygen water renamed so that they are recognized as oxygens
                             miguel
;
_cod_original_formula_sum        'Mn S O9 H10'
_cod_database_code               9012360
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn1 0.00000 0.00000 0.00000 ?
Mn2 0.50000 0.50000 0.00000 ?
S 0.03450 0.28860 0.65930 ?
O1 -0.06460 0.15360 0.72060 ?
O2 0.26680 0.32710 0.83020 ?
O3 -0.11620 0.37090 0.66170 ?
O4 0.05820 0.29750 0.42600 ?
O15 0.82370 0.07900 0.16990 ?
O16 0.32420 0.11780 0.19120 ?
O17 0.47860 0.40010 0.32710 ?
O18 0.76690 0.40350 0.03310 ?
O19 0.45810 0.13320 0.67080 ?
H54 0.90000 0.14700 0.25600 0.04433
H59 0.72800 0.02500 0.19800 0.04433
H62 0.36000 0.11400 0.36500 0.04433
H69 0.31600 0.18800 0.08700 0.04433
H73 0.35900 0.38600 0.38300 0.04433
H74 0.60000 0.38800 0.45800 0.04433
H83 0.86600 0.37400 0.16600 0.04433
H84 0.82100 0.38700 -0.06300 0.04433
H91 0.63500 0.14300 0.72800 0.04433
H92 0.38400 0.16200 0.74800 0.04433
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015832
