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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107008.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107008
loop_
_publ_author_name
'Jost, K.H.'
'Schulze, H.J.'
_publ_section_title
;
 Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1110
_journal_page_last               1118
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'K O3 P'
_chemical_name_systematic        'K (P O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8
_cell_length_b                   4.54
_cell_length_c                   5.89
_cell_volume                     342.280
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Jost_ACBCAR_1969_1110.cif
_cod_data_source_block           K1O3P1
_cod_original_cell_volume        342.2797
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'K1 O3 P1'
_cod_database_code               2107008
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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
K1 K+1 0.1018 0.2753 0.25 1 0.0
P1 P+5 0.1774 0.8184 0.75 1 0.0
O2 O-2 0.214 0.145 0.75 1 0.0
O1 O-2 0.12 0.75 0.538 1 0.0
