#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/66/1536675.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_1536675
loop_
_publ_author_name
'El Bali, B.'
'Boukhari, A.'
'Glaum, R.'
'Maass, K.'
'Aride, J.'
'Wald, D.'
'Abraham, F.'
_publ_section_title
;
 Crystal structure and colour of Sr Ni P2 O7 and Sr Ni3 (P2 O7)2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              669
_journal_page_last               676
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ni O7 P2 Sr'
_chemical_name_systematic        'Sr Ni (P2 O7)'
_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                 90.246
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2691
_cell_length_b                   8.2674
_cell_length_c                   12.614
_cell_volume                     549.483
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            ElBali_SSSCFJ_2001_129.cif
_cod_data_source_block           Ni1O7P2Sr1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ni1 O7 P2 Sr1'
_cod_database_code               1536675
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
O5 O-2 0.4849 0.0641 0.2939 1 0.0
O1 O-2 0.6782 0.3617 0.1511 1 0.0
O4 O-2 0.7661 0.1171 0.4518 1 0.0
Ni1 Ni+2 0.81377 0.1474 0.113 1 0.0
Sr1 Sr+2 0.28354 0.34289 0.28098 1 0.0
O2 O-2 0.6723 0.4026 0.3988 1 0.0
O6 O-2 0.0963 0.3346 0.4789 1 0.0
O3 O-2 0.9457 0.1212 0.2668 1 0.0
P1 P+5 0.75113 0.53742 0.16305 1 0.0
O7 O-2 0.1952 0.1808 0.0911 1 0.0
P2 P+5 0.31224 0.19688 0.98233 1 0.0
