#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/81/9008113.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_9008113
loop_
_publ_author_name
'Kannan, K. K.'
'Viswamitra, M. A.'
_publ_section_title
;Crystal structure of magnesium potassium sulfate hexahydrate
 MgK2(SO4)2*6(H2O) Locality: synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              161
_journal_page_last               174
_journal_paper_doi               10.1524/zkri.1965.122.3-4.161
_journal_volume                  122
_journal_year                    1965
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H12 K2 Mg O14 S2'
_chemical_name_mineral           Picromerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.83
_cell_angle_gamma                90
_cell_length_a                   9.072
_cell_length_b                   12.212
_cell_length_c                   6.113
_cell_formula_units_Z            2
_cell_volume                     654.683
_database_code_amcsd             0010626
_exptl_crystal_density_diffrn    2.043
_cod_original_formula_sum        'Mg K2 S2 O14 H12'
_cod_database_code               9008113
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+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
Mg 0.00000 0.00000 0.00000 0.01216
K 0.13100 0.34600 0.34500 0.01634
S 0.41000 0.13700 -0.27100 0.00988
O1 0.28500 0.06000 -0.37900 0.01849
O2 0.40300 0.23200 -0.43100 0.01849
O3 0.38800 0.17300 -0.05500 0.01849
O4 0.55300 0.08000 -0.24200 0.01849
O5 0.17200 0.11100 0.16900 0.01849
O6 -0.16900 0.11300 0.02600 0.01849
O7 0.00400 0.06600 -0.30700 0.01849
H1 0.24300 0.12700 0.10200 0.01912
H2 0.21400 0.09500 0.32700 0.01912
H3 0.13900 -0.17600 -0.02000 0.01912
H4 0.27000 -0.09400 0.06300 0.01912
H5 0.01300 -0.15000 0.32100 0.01912
H6 0.10400 0.06000 -0.33500 0.01912
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010626
