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#$Date: 2016-11-14 04:23:27 +0200 (Mon, 14 Nov 2016) $
#$Revision: 188423 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014154.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9014154
loop_
_publ_author_name
'Seethanen, D.'
'Tordjman, I.'
'Averbuch-Pouchot M'
_publ_section_title
;
 Structure cristalline du trimetaphosphate mixte de nickelpotassium
 heptahydrate,  Ni K4 (P3 O9)2 (H2 O)7, et donnees
 cristallographiques de Co K4 (P3 O9)2 (H2 O)7
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2387
_journal_page_last               2390
_journal_paper_doi               10.1107/S0567740878008298
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'K4 Ni O25 P6'
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F -2 -2'
_symmetry_space_group_name_H-M   'F m 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.03
_cell_length_b                   11.882
_cell_length_c                   8.732
_cell_volume                     2389.446
_database_code_amcsd             0015974
_exptl_crystal_density_diffrn    2.226
_cod_duplicate_entry             1008027
_cod_original_formula_sum        'Ni K4 P6 O25'
_cod_database_code               9014154
_amcsd_formula_title             'H14 K4 Ni O25 P6'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,y,z
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
x,y,-z
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
-x,y,-z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Ni1 0.00000 0.00000 0.00000 0
K1 0.25000 0.02904 0.25000 0
K2 0.11389 0.60717 0.00000 0
P1 0.23557 0.27202 0.00000 0
P2 0.13047 0.32160 0.16856 0
O1 0.19093 0.25618 0.14304 0
O2 0.10178 0.31841 0.00000 0
O3 0.27303 0.17091 0.00000 0
O4 0.25828 0.38806 0.00000 0
O5 0.09275 0.25072 0.26792 0
O6 0.13988 0.44089 0.21560 0
O7 0.09038 0.00527 0.00000 2
O8 0.00000 0.12086 0.16853 2
O9 0.00000 -0.11614 0.16937 2
O10 0.00000 0.51858 0.00000 2