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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/47/1534735.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_1534735
loop_
_publ_author_name
'Lueer, B.'
'Jansen, M.'
_publ_section_title
;
 Darstellung und Kristallstrukturen von
 Alkalimetallcyclohexaphosphaten(III) (6P-P)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              51
_journal_page_last               63
_journal_volume                  601
_journal_year                    1991
_chemical_formula_sum            'H16 K6 O20 P6'
_chemical_name_systematic        'K6 (P6 O12) (H2 O)8'
_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                 97.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.04
_cell_length_b                   17.42
_cell_length_c                   10.174
_cell_volume                     1238.300
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lueer_ZAACAB_1991_64.cif
_cod_data_source_block           H16K6O20P6
_cod_original_cell_volume        1238.3
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1534735
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
O10 O-2 -0.2319 1.0681 0.9608 0.667 0.0
O11 O-2 -0.4189 1.0236 0.994 0.333 0.0
O9 O-2 -0.0901 1.251 0.7981 1 0.0
P3 P+3 0.1421 1.10855 0.47776 1 0.0
O2 O-2 -0.0436 0.9312 0.8094 1 0.0
O1 O-2 0.2478 0.914 0.6803 1 0.0
O8 O-2 0.2578 1.1519 1.0292 1 0.0
O7 O-2 0.44 1.2263 0.7301 1 0.0
K2 K+1 0.3535 0.80834 0.4926 1 0.0
K1 K+1 0.5497 1.01157 0.7108 1 0.0
P1 P+3 0.0491 0.94505 0.68561 1 0.0
O3 O-2 0.2241 1.0955 0.7722 1 0.0
K3 K+1 0.3606 0.81944 0.8893 1 0.0
O6 O-2 -0.0957 0.8068 0.5396 1 0.0
O5 O-2 0.3463 1.083 0.4767 1 0.0
P2 P+3 0.0576 1.07208 0.67146 1 0.0
O4 O-2 0.1381 0.8964 0.3119 1 0.0
