data_global
_amcsd_formula_title 'Cr(HP2O7)(NH3)3(H2O).2H2O'
loop_
_publ_author_name
'Haromy T P'
'Linck C F'
'Cleland W W'
'Sundaralingam M'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 951
_journal_page_last 957
_publ_section_title
;
 Structures of the meridional and facial isomers of triamminechromium
 pyrophosphate dihydrate
 Sample: (b), alpha,beta,beta'-tridentate triammine(pyrophosphato)
 chromium(III)dihydrate dimer
;
_database_code_amcsd 0010134
_chemical_formula_sum 'Cr P2 O9 N3 H18'
_cell_length_a 8.695
_cell_length_b 10.327
_cell_length_c 11.913
_cell_angle_alpha 90
_cell_angle_beta 97.81
_cell_angle_gamma 90
_cell_volume 1059.785
_exptl_crystal_density_diffrn      1.994
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cr   0.11650  -0.12170  -0.15320   0.02748
P1   0.28910   0.14580  -0.08210   0.03268
P2   0.19980  -0.01430   0.10200   0.03154
O1P1   0.23100   0.03990  -0.16230   0.04914
O2P1   0.22550   0.27230  -0.11380   0.09436
O3P1   0.46200   0.15260  -0.06250   0.08194
OP12   0.24270   0.11370   0.03940   0.05497
O1P2   0.13780  -0.11060   0.01140   0.03749
O2P2   0.08190   0.02700   0.17570   0.03977
O3P2   0.34390  -0.06370   0.17400   0.05725
N1  -0.00100  -0.29250  -0.14300   0.04496
N2   0.09230  -0.14150  -0.32530   0.04471
N3   0.32260  -0.22050  -0.14450   0.05370
Wat1   0.47060   0.58640   0.16180   0.08245
Wat2   0.23740   0.51200  -0.01050   0.09208
HO3P2   0.43100  -0.11500   0.12600   0.14312
H1N1  -0.07500  -0.28500  -0.11900   0.07092
H2N1   0.06000  -0.35100  -0.10600   0.05446
H3N1  -0.03500  -0.30700  -0.21300   0.08866
H1N2   0.00600  -0.16200  -0.34500   0.05446
H2N2   0.13400  -0.20100  -0.34200   0.04179
H3N2   0.12300  -0.08600  -0.35500   0.04939
H1N3   0.36800  -0.19800  -0.19000   0.09626
H2N3   0.36600  -0.21200  -0.09200   0.06459
H3N3   0.31500  -0.29900  -0.15900   0.07472
H1W1   0.53600   0.51800   0.20100   0.08232
H2W1   0.53900   0.67100   0.14200   0.12159
H1W2   0.24700   0.44500  -0.03000   0.07346
H2W2   0.33500   0.51700   0.03400   0.07599