data_4000541
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_publ_title
;
Synthesis and Investigation of Tin(II) Pyrophosphate Sn2P2O7
;
loop_
_publ_author_name
'Chernaya Victoria V.'
'Mitiaev Alexander S.'
'Chizhov Pavel S.'
'Dikarev Evgeny V.'
'Shpanchenko Roman V.'
'Antipov Evgeny V.'
'Korolenko Mikhail V.'
'Fabritchnyi Pavel B.'
_chemical_name_systematic                'Tin(II) Pyrophosphate'
_chemical_name_common                    'Tin(II) Pyrophosphate'
_chemical_formula_moiety                 'O14 P4 Sn4'
_chemical_formula_structural             'Sn2 [P2 O7]'
_chemical_formula_sum                    'O28 P8 Sn8'
_chemical_formula_weight                 411.4
_chemical_melting_point                  870
_symmetry_cell_setting                   triclinic
_symmetry_space_group_name_H-M           'P -1'
_symmetry_space_group_name_Hall          '-P 1'
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
 1   x,y,z
 2   -x,-y,-z
_cell_length_a                           5.2570(6)
_cell_length_b                           11.4464(14)
_cell_length_c                           11.5610(14)
_cell_angle_alpha                        101.616(2)
_cell_angle_beta                         99.158(2)
_cell_angle_gamma                        98.701(2)
_cell_volume                             660.54(14)
_cell_formula_units_Z                    4
_cell_measurement_temperature            93
_exptl_crystal_density_diffrn            4.1352
_diffrn_ambient_temperature       173(2)
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Sn1 Sn 0.26491(19) 0.50009(9) 0.14063(9) Uani 0.0088(3) 2 1 d . . .
  Sn2 Sn 0.17638(19) -0.15005(9) -0.02218(9) Uani 0.0089(3) 2 1 d . . .
  Sn3 Sn 0.69248(18) -0.05321(9) 0.37100(9) Uani 0.0091(3) 2 1 d . . .
  Sn4 Sn 0.23480(18) 0.36603(9) 0.47023(9) Uani 0.0086(3) 2 1 d . . .
  P1 P 0.2827(7) 0.1156(3) 0.2549(3) Uani 0.0072(10) 2 1 d . . .
  P2 P 0.6860(7) 0.3263(3) 0.2555(3) Uani 0.0092(11) 2 1 d . . .
  P3 P 0.1761(7) -0.2794(3) 0.3517(3) Uani 0.0083(10) 2 1 d . . .
  P4 P 0.7949(7) -0.2681(3) 0.1460(3) Uani 0.0081(10) 2 1 d . . .
  O1 O 0.142(2) -0.3191(9) -0.1599(10) Uani 0.013(3) 2 1 d . . .
  O2 O 0.6579(19) -0.1696(10) 0.2001(9) Uani 0.012(3) 2 1 d . . .
  O3 O 0.8448(19) -0.2543(9) 0.0222(8) Uani 0.010(3) 2 1 d . . .
  O4 O 0.845(2) 0.3749(10) 0.3841(9) Uani 0.014(3) 2 1 d . . .
  O5 O 0.169(2) 0.1915(10) 0.3474(9) Uani 0.012(3) 2 1 d . . .
  O6 O 0.460(2) 0.3932(10) 0.2362(10) Uani 0.014(3) 2 1 d . . .
  O7 O 0.347(2) 0.0000(10) 0.2879(9) Uani 0.015(3) 2 1 d . . .
  O8 O 0.0868(19) -0.2476(9) 0.2243(9) Uani 0.011(3) 2 1 d . . .
  O9 O 0.109(2) 0.0832(11) 0.1311(10) Uani 0.016(4) 2 1 d . . .
  O10 O 0.045(2) 0.2689(10) 0.5830(10) Uani 0.017(4) 2 1 d . . .
  O11 O 0.4260(19) -0.1834(10) 0.4177(9) Uani 0.013(3) 2 1 d . . .
  O12 O 0.659(2) 0.6053(11) 0.1417(9) Uani 0.016(3) 2 1 d . . .
  O13 O 0.239(2) 0.5942(11) 0.3215(11) Uani 0.021(4) 2 1 d . . .
  O14 O 0.561(2) 0.1871(9) 0.2433(9) Uani 0.013(3) 2 1 d . . .