#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104472.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_8104472
loop_
_publ_author_name
'Effenberger, H.'
_publ_section_title
;
 Synthese und Kristallstruktur des rhombischen
 Kalium-kupfer(II)-phosphates K Cu P O4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              113
_journal_page_last               119
_journal_volume                  168
_journal_year                    1984
_chemical_formula_sum            'Cu K O4 P'
_chemical_name_systematic        'K Cu (P O4)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.94
_cell_length_b                   6.742
_cell_length_c                   6.795
_cell_volume                     821.865
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Effenberger_ZEKRDZ_1984_1946.cif
_cod_data_source_block           Cu1K1O4P1
_cod_original_cell_volume        821.8654
_cod_original_formula_sum        'Cu1 K1 O4 P1'
_cod_database_code               8104472
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,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
O3 O-2 0.0515 0.5366 -0.1939 1 0.0
P1 P+5 0.10353 0.46103 -0.01982 1 0.0
O2 O-2 0.0972 0.61 0.1524 1 0.0
O1 O-2 0.1828 0.4415 -0.0888 1 0.0
O4 O-2 0.0694 0.2556 0.0323 1 0.0
Cu1 Cu+2 -0.00645 0.20213 0.22543 1 0.0
K1 K+1 0.17671 0.52905 0.51165 1 0.0
