#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/14/1001466.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_1001466
_chemical_name_systematic          'Strontium cobalt diphosphate'
_chemical_formula_structural       'Sr Co (P2 O7)'
_chemical_formula_sum              'Co O7 P2 Sr'
_publ_section_title                'Structure of SrCoP~2~O~7~'
loop_
_publ_author_name
  'Riou, D'
  'Raveau, B'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    47
_journal_year                      1991
_journal_page_first                1708
_journal_page_last                 1709
_cell_length_a                     5.3165(4)
_cell_length_b                     8.2574(5)
_cell_length_c                     12.6755(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90.133(5)
_cell_angle_gamma                  90
_cell_volume                       556.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Co2+   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+   4 e 0.2851(2) 0.3392(1) 0.27851(7) 1.  0 d
  Co1   Co2+   4 e 0.8190(2) 0.1479(2) 0.10681(9) 1.  0 d
  P1    P5+    4 e 0.7484(4) 0.5354(3) 0.1652(2) 1.  0 d
  P2    P5+    4 e 0.3138(4) 0.1997(3) 0.9810(2) 1.  0 d
  O1    O2-    4 e 0.677(1) 0.3597(7) 0.1523(5) 1.  0 d
  O2    O2-    4 e 0.668(1) 0.4018(8) 0.4007(5) 1.  0 d
  O3    O2-    4 e 0.949(1) 0.1188(7) 0.2663(5) 1.  0 d
  O4    O2-    4 e 0.767(1) 0.1133(8) 0.4509(5) 1.  0 d
  O5    O2-    4 e 0.489(1) 0.0615(8) 0.2927(6) 1.  0 d
  O6    O2-    4 e 0.093(1) 0.3338(9) 0.4728(5) 1.  0 d
  O7    O2-    4 e 0.203(1) 0.1838(9) 0.0909(5) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Sr1   0.0060(2) 0.0002(3) 0.0001(2) 0.0085(2) 0.0012(3) 0.0072(2)
  Co1   0.0084(4) -0.0001(4) -0.0010(3) 0.0065(4) -0.0006(4) 0.0062(4)
  P1    0.0050(7) 0.0003(7) 0.0004(6) 0.0054(7) 0.0008(7) 0.0048(7)
  P2    0.0057(7) -0.0005(6) 0.0015(6) 0.0054(7) .0000(6) 0.0025(7)
  O1    0.014(2) -0.001(2) 0.002(2) 0.004(2) .000(2) 0.012(2)
  O2    0.007(2) .000(2) -0.003(2) 0.013(2) 0.001(2) 0.007(2)
  O3    0.007(2) -0.003(2) 0.001(2) 0.006(2) 0.001(2) 0.003(2)
  O4    0.011(3) -0.005(2) -0.001(2) 0.010(2) -0.006(2) 0.007(2)
  O5    0.009(2) -0.001(2) -0.005(2) 0.007(2) 0.002(2) 0.016(3)
  O6    0.001(2) -0.002(2) 0.001(2) 0.013(2) 0.002(2) 0.010(2)
  O7    0.007(2) -0.004(2) 0.002(2) 0.019(3) -0.001(2) 0.003(2)
_refine_ls_R_factor_all            0.041
_cod_database_code 1001466