#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530876.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_1530876
loop_
_publ_author_name
'Tibballs, J.E.'
'Nelmes, R.J.'
'McIntyre, G.J.'
_publ_section_title
;
 The crystal structure of tetragonal K H2 P O4 and K D2 P O4 as a function
 of temperature and pressure
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              37
_journal_page_last               58
_journal_volume                  15
_journal_year                    1982
_chemical_formula_sum            'D2 K O4 P'
_chemical_name_systematic        'K (D2 P O4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.469
_cell_length_b                   7.469
_cell_length_c                   6.976
_cell_volume                     389.163
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Tibballs_JPSOAW_1982_923.cif
_cod_data_source_block           D2K1O4P1
_cod_original_cell_volume        389.1628
_cod_original_formula_sum        'D2 K1 O4 P1'
_cod_database_code               1530876
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
D1 D+1 0.14861 0.22011 0.12041 0.5 0.0
K1 K+1 0 0 0.5 1 0.0
P1 P+5 0 0 0 1 0.0
O1 O-2 0.14888 0.08073 0.12643 1 0.0
