#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1004100.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_1004100
_chemical_name_systematic          'Strontium dinickel phosphate'
_chemical_formula_structural       'Sr Ni2 (P O4)2'
_chemical_formula_sum              'Ni2 O8 P2 Sr'
_publ_section_title                'The crystal structure of SrNi~2~(PO4/4)~2~'
loop_
_publ_author_name
  'Elbali, B'
  'Boukhari, A'
  'Aride, J'
  'Abraham, F'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    104
_journal_year                      1993
_journal_page_first                453
_journal_page_last                 459
_cell_length_a                     5.468(1)
_cell_length_b                     6.667(1)
_cell_length_c                     9.156(1)
_cell_angle_alpha                  110.58(1)
_cell_angle_beta                   100.87(1)
_cell_angle_gamma                  98.01(1)
_cell_volume                       299.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ni2+   2.000
  P5+    5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Sr1   Sr2+   2 i 0.75692(8) 0.79799(6) 0.55526(5) 1.  0 d
  Ni1   Ni2+   2 i 0.14162(10) 0.85599(9) 0.05986(6) 1.  0 d
  Ni2   Ni2+   2 i 0.49302(11) 0.41054(9) 0.15471(6) 1.  0 d
  P1    P5+    2 i 0.6550(2) -0.0266(2) 0.1963(1) 1.  0 d
  P2    P5+    2 i 0.1072(2) 0.5704(2) 0.2581(1) 1.  0 d
  O1    O2-    2 i 0.1193(6) 0.4048(5) 0.0919(4) 1.  0 d
  O2    O2-    2 i 0.5029(6) 0.7327(5) 0.0814(4) 1.  0 d
  O3    O2-    2 i 0.8787(6) 0.0453(5) 0.1316(4) 1.  0 d
  O4    O2-    2 i 0.4535(6) 0.1170(5) 0.1862(4) 1.  0 d
  O5    O2-    2 i 0.1516(6) 0.8036(5) 0.2625(4) 1.  0 d
  O6    O2-    2 i 0.8542(6) 0.5111(5) 0.2984(4) 1.  0 d
  O7    O2-    2 i 0.7497(6) 0.0013(5) 0.3698(4) 1.  0 d
  O8    O2-    2 i 0.3381(6) 0.5464(5) 0.3734(4) 1.  0 d
_refine_ls_R_factor_all            0.032
_cod_database_code 1004100