#------------------------------------------------------------------------------
#$Date: 2017-09-03 02:17:11 +0200 (dom 03 de sep de 2017) $
#$Revision: 200139 $
#$URL: svn://www.crystallography.net/cod/cif/1/20/00/1200011.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_1200011
loop_
_publ_author_name
'Robinson, Mark T.'
_publ_section_title
;
 The crystal structures of β-K₂SO₄ and of β-K₂PO₃F
;
_journal_coden_ASTM              JPCHAX
_journal_issue                   8
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              925
_journal_page_last               928
_journal_paper_doi               10.1021/j150566a007
_journal_volume                  62
_journal_year                    1958
_chemical_formula_structural     'K2 S O4'
_chemical_formula_sum            'K2 O4 S'
_chemical_name_systematic        'Potassium sulfate - $-beta'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.456(6)
_cell_length_b                   10.08(1)
_cell_length_c                   5.776(5)
_cell_volume                     434.1
_exptl_crystal_density_meas      2.62(0)
_refine_ls_R_factor_all          0.095
_cod_database_code               1200011
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,y,1/2-z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
K1 K1+ 4 c 0.1768(25) 0.0818(128) 0.25 1. 0 d
K2 K1+ 4 c -0.0115(19) 0.7046(15) 0.25 1. 0 d
S1 S6+ 4 c 0.2358(36) 0.4155(161) 0.25 1. 0 d
O1 O2- 4 c 0.0315(74) 0.4032(87) 0.25 1. 0 d
O2 O2- 4 c 0.2970(89) 0.5579(44) 0.25 1. 0 d
O3 O2- 8 d 0.2997(46) 0.3484(28) 0.0410(41) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
S6+ 6.000
O2- -2.000
