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#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2008259.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_2008259
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  288
_journal_page_last  291
_publ_section_title
;
A new vanadium(IV) monophosphate, Sr(VO)~2~(PO~4~)~2~, isotypic with
Ca(VO)~2~(PO~4~)~2~
;
loop_
_publ_author_name
  'Berrah, Fadila'
  "Leclaire, Andr\'e"
  'Borel, Marie-Madeleine'
  'Guesdon, Anne'
  'Raveau, Bernard'
_chemical_name_common  'Strontium vanadium monophosphate'
_chemical_formula_moiety  'SrV~2~P~2~O~10~'
_chemical_formula_sum            'O10 P2 Sr V2'
_[local]_cod_chemical_formula_sum_orig 'Sr V2 P2 O10'
_chemical_formula_structural  'Sr(VO)~2~(PO~4~)~2~'
_chemical_formula_analytical  'Sr(VO)~2~(PO~4~)~2~'
_chemical_formula_iupac  'Sr(VO)~2~(PO~4~)~2~'
_chemical_formula_weight  411.45
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'F d d 2'
_symmetry_space_group_name_Hall  'F 2 -2d'
loop_
_symmetry_equiv_pos_as_xyz
  +x,+y,+z
  -x,-y,+z
  1/4-x,1/4+y,1/4+z
  3/4+x,3/4-y,1/4+z
  +x,1/2+y,1/2+z
  1/2+x,+y,1/2+z
  1/2+x,1/2+y,+z
  -x,1/2-y,1/2+z
  1/2-x,-y,1/2+z
  1/2-x,1/2-y,+z
  1/4-x,3/4+y,3/4+z
  3/4-x,1/4+y,3/4+z
  3/4-x,3/4+y,1/4+z
  3/4+x,1/4-y,3/4+z
  1/4+x,3/4-y,3/4+z
  1/4+x,1/4-y,1/4+z
_cell_length_a  11.992(3)
_cell_length_b  15.932(2)
_cell_length_c  7.222(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1379.8(5)
_cell_formula_units_Z  8
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  3.96
_diffrn_ambient_temperature  293
_refine_ls_R_factor_obs  .042
_refine_ls_wR_factor_obs  .041
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
  Sr 0 0 0 .0079(4) Uani ? ?
  V .13890(10)
  .13140(8) .6477(3) .0076(5) Uani ? ?
  P .2496(3) .04084(9) .2586(6) .0056(7) Uani ? ?
  O1 .2466(6) .1675(2) .7590(10)
  .006(2) Uani ? ?
  O2 .1042(6) .2341(4) .4970(10)
  .007(3) Uani ? ?
  O3 .2388(5) .0981(4) .4250(10)
  .009(3) Uani ? ?
  O4 .1478(6) .0168(4) .7690(10)
  .007(3) Uani ? ?
  O5 .0131(5) .1516(5) .8350(10)
  .010(3) Uani ? ?
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
  Sr .0068(4) .0078(4) .0090(5) .0003(6) .00000 .00000
  V .0085(5) .0053(5) .0090(6) .0025(5) .0023(5) .0020(5)
  P .0053(7) .0043(6) .0070(7) .0010(10)
  -.0002(8) .0000(10)
  O1 .009(2) .0030(10)
  .004(2) .001(3) -.001(2) .000(3)
  O2 .007(2) .006(2) .009(3) .002(3) -.002(3) .002(2)
  O3 .012(3) .007(3) .008(3) .001(2) .001(3) -.003(2)
  O4 .007(2) .007(2) .008(3) .002(3) .002(3) .001(2)
  O5 .009(3) .008(3) .013(4) .000(2) .002(3) -.006(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sr O4 . 1_554 2.447(8) yes
  Sr O5 . 1_554 2.696(8) yes
  Sr O4 . 2_554 2.447(8) yes
  Sr O5 . 2_554 2.696(8) yes
  Sr O2 . 11_544 2.508(8) yes
  Sr O3 . 11_544 2.734(7) yes
  Sr O2 . 14_454 2.508(8) yes
  Sr O3 . 14_454 2.734(7) yes
  V O1 . . 1.624(8) yes
  V O2 . . 2.011(7) yes
  V O3 . . 2.073(8) yes
  V O4 . . 2.029(6) yes
  V O5 . . 2.054(8) yes
  V O1 . 14_454 2.129(8) yes
  P O3 . . 1.516(9) yes
  P O4 . 9_554 1.537(7) yes
  P O2 . 11_544 1.541(7) yes
  P O5 . 16_554 1.559(9) yes
_cod_database_code 2008259