#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2200911.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_2200911
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2002
_journal_volume  58
_journal_page_first  i19
_journal_page_last  i20
_publ_section_title
;
Strontium dihydrogenphosphite
;
loop_
_publ_author_name
  'Ouarsal, Rachid'
  'Alaoui Tahiri, Aziz'
  'El Bali, Brahim'
  'Lachkar, Mohammed'
  'Bolte, Michael'
_chemical_formula_moiety  'Sr (H2 P O3)2'
_chemical_formula_sum  'H4 O6 P2 Sr'
_chemical_formula_iupac  'Sr (H2 P O3)2'
_chemical_formula_weight  249.59
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  5.7970(10)
_cell_length_b  7.2060(10)
_cell_length_c  8.0680(10)
_cell_angle_alpha  97.870(10)
_cell_angle_beta  104.510(10)
_cell_angle_gamma  106.550(10)
_cell_volume  304.78(8)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.720
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Sr1  .33592(11)  .71364(8)  .54372(7)  .0188(4) Uani d . 1 . . Sr
  P1  .0494(3)  .2700(3)  .1686(2)  .0196(5) Uani d . 1 . . P
  P2  .6732(3)  .7585(3)  .2775(2)  .0197(5) Uani d . 1 . . P
  O11  .2053(10)  .1397(7)  .2166(7)  .0250(11) Uani d . 1 . . O
  O12  .0159(10)  .3956(7)  .3198(7)  .0275(12) Uani d . 1 . . O
  O13  -.2258(11)  .1353(9)  .0457(7)  .0346(14) Uani d . 1 . . O
  O21  .9745(10)  .8174(9)  .3197(8)  .0281(13) Uani d . 1 . . O
  O22  .5976(9)  .9242(7)  .3546(7)  .0251(11) Uani d . 1 . . O
  O23  .5786(10)  .5712(7)  .3411(7)  .0274(11) Uani d . 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Sr1  .0186(6)  .0181(6)  .0202(5)  .0075(4)  .0066(3)  .0019(3)
  P1  .0202(10)  .0209(10)  .0171(9)  .0091(7)  .0039(7)  .0009(8)
  P2  .0206(10)  .0199(10)  .0196(10)  .0082(7)  .0073(7)  .0020(7)
  O11  .026(3)  .025(3)  .024(2)  .012(2)  .005(2)  -.001(2)
  O12  .026(3)  .028(3)  .029(3)  .011(2)  .011(2)  -.002(2)
  O13  .027(3)  .034(3)  .033(3)  .013(2)  -.002(2)  -.009(2)
  O21  .017(3)  .035(3)  .033(3)  .010(2)  .008(2)  .005(3)
  O22  .030(3)  .016(2)  .029(2)  .0056(19)  .012(2)  .001(2)
  O23  .025(3)  .022(2)  .035(3)  .008(2)  .009(2)  .007(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sr1 O23 2_666 2.489(5) y
  Sr1 O22 2_676 2.513(5) y
  Sr1 O12 2_566 2.537(5) y
  Sr1 O12 . 2.593(5) y
  Sr1 O11 2_666 2.682(5) y
  Sr1 O23 . 2.687(5) y
  Sr1 O22 . 2.723(5) y
  Sr1 O21 1_455 2.753(6) y
  Sr1 P2 . 3.2368(19) ?
  Sr1 P1 2_566 3.614(2) ?
  Sr1 P1 2_666 3.6935(19) ?
  Sr1 P1 . 3.7345(19) ?
  P1 O12 . 1.504(5) y
  P1 O11 . 1.502(5) y
  P1 O13 . 1.591(6) y
  P1 Sr1 2_566 3.614(2) ?
  P1 Sr1 2_666 3.6935(19) ?
  P2 O22 . 1.495(5) y
  P2 O23 . 1.515(5) y
  P2 O21 . 1.608(5) y
  O11 Sr1 2_666 2.682(5) ?
  O12 Sr1 2_566 2.537(5) ?
  O21 Sr1 1_655 2.753(6) ?
  O22 Sr1 2_676 2.513(5) ?
  O23 Sr1 2_666 2.489(5) ?
_cod_database_code 2200911