#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007480.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_9007480
loop_
_publ_author_name
'Baur, W. H.'
_publ_section_title
;
 On the crystal chemistry of salt hydrates.
 II. A neutron diffraction study of MgSO4*4H2O
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica'
_journal_page_first              863
_journal_page_last               869
_journal_paper_doi               10.1107/S0365110X64002304
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 Mg O8 S'
_chemical_name_mineral           Starkeyite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.922
_cell_length_b                   13.604
_cell_length_c                   7.905
_cell_volume                     636.780
_database_code_amcsd             0009287
_exptl_crystal_density_diffrn    2.007
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
                               Miguel.
;
_cod_original_formula_sum        'Mg S O8 H8'
_cod_database_code               9007480
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.06910 0.10300 0.22160
S 0.19570 0.10700 0.82630
O1 0.00740 0.04600 0.76010
O2 0.24820 0.07740 0.00110
O3 0.39750 0.09130 0.72180
O4 0.12900 0.21060 0.81480
O5 0.35830 0.07400 0.35890
O6 0.77160 0.13950 0.09140
O7 0.89140 0.12820 0.44120
O8 0.17520 0.24820 0.22220
H1 0.37260 0.08510 0.47970
H2 0.45800 0.02320 0.32460
H3 0.68020 0.19040 0.14170
H4 0.68190 0.09430 0.03300
H5 0.80180 0.18550 0.45600
H6 0.92070 0.09800 0.55330
H7 0.31670 0.26450 0.27530
H8 0.57710 0.19380 0.72490
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009287
