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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/1/52/09/1520998.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_1520998
loop_
_publ_author_name
'Daidouh, A.'
'Pico, C.'
'Veiga, M.L.'
_publ_section_title
;
 Structure features and ionic conductivity of the A M4 (P O4)3
 orthophosphates: (A = Na, K, Rb; M = Ni, Mn)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              109
_journal_page_last               117
_journal_volume                  124
_journal_year                    1999
_chemical_formula_sum            'K Ni4 O12 P3'
_chemical_name_systematic        'K Ni4 (P O4)3'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2n 2'
_symmetry_space_group_name_H-M   'P m n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.152
_cell_length_b                   16.214
_cell_length_c                   9.484
_cell_volume                     946.015
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Daidouh_SSIOD3_1999_758.cif
_cod_data_source_block           K1Ni4O12P3
_cod_original_cell_volume        946.0151
_cod_original_sg_symbol_Hall     '-P 2 2n (z,x,y)'
_cod_original_formula_sum        'K1 Ni4 O12 P3'
_cod_database_code               1520998
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y,-z
-x,y,z
x-1/2,-y-1/2,z-1/2
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
P2 P+5 0.5 0.221 0.953 1 0.0
K1 K+1 0.5 0.031 0.796 1 0.0
O3 O-2 0.305 0.113 0.593 1 0.0
O1 O-2 0.5 0.169 0.383 1 0.0
O2 O-2 0.5 0.222 0.117 1 0.0
O7 O-2 0.204 0.084 0.157 1 0.0
O8 O-2 0.71 0.177 0.89 1 0.0
Ni2 Ni+2 0 0.141 0.985 1 0.0
O4 O-2 0 0.185 0.394 1 0.0
O6 O-2 0 0.044 0.867 1 0.0
Ni1 Ni+2 0 0.091 0.536 1 0.0
Ni3 Ni+2 0.255 0.204 0.25 1 0.0
P3 P+5 0 0.036 0.208 1 0.0
O5 O-2 0.5 0.243 0.605 1 0.0
P1 P+5 0.5 0.16 0.542 1 0.0
O9 O-2 0 0.023 0.357 1 0.0
