#------------------------------------------------------------------------------
#$Date: 2015-10-05 13:27:42 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159944 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/24/7222417.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_7222417
loop_
_publ_author_name
'Belik, A.A.'
'Izumi, F.'
'Ikeda, T.'
'Malakho, A.P.'
'Lazoryak, B.I.'
_publ_section_title
;
 Strontium phosphates with beta-(Ca3 (P O4)2)-type structures: Sr9 Ni Li
 (P O4)7, Sr9.04 Ni1.02 Na0.88 (P O4)7 and Sr9.08 Ni1.04 K0.76 (P O4)7
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              3803
_journal_page_last               3808
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'Na0.88 Ni1.02 O28 P7 Sr9.04'
_chemical_name_systematic        'Sr9.04 Ni1.02 Na0.88 (P O4)7'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.6755
_cell_length_b                   10.6755
_cell_length_c                   38.9339
_cell_volume                     3842.687
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Belik_JMACEP_2002_381.cif
_cod_data_source_block           Na0.88Ni1.02O28P7Sr9.04
_cod_database_code               7222417
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
O2 O-2 0.0102 0.8695 0.2524 1 0.0
Sr3 Sr+2 0.1305 0.27421 0.32453 1 0.0
O4 O-2 0.7403 0.7576 0.118 1 0.0
O3 O-2 0.7503 0.9054 0.1711 1 0.0
O1 O-2 0 0 0.3035 1 0.0
O10 O-2 0.6216 0.8194 0.9915 1 0.0
P2 P+5 0.6848 0.851 0.13405 1 0.0
Sr4 Sr+2 0 0 0.1851 0.04 0.0
Ni1 Ni+2 0 0 0.1851 0.02 0.0
O7 O-2 0.6073 0.9445 0.0442 1 0.0
O5 O-2 0.7229 0.9916 0.1137 1 0.0
P1 P+5 0 0 0.26323 1 0.0
O9 O-2 0.8245 0.9212 0.0361 1 0.0
O8 O-2 0.5889 0.6929 0.0482 1 0.0
Sr1 Sr+2 0.72855 0.8581 0.43194 1 0.0
Ni2 Ni+2 0 0 0 1 0.0
P3 P+5 0.6596 0.8442 0.02946 1 0.0
Na1 Na+1 0 0 0.1851 0.88 0.0
Sr2 Sr+2 0.61747 0.8187 0.22915 1 0.0
O6 O-2 0.5126 0.7543 0.1346 1 0.0
