#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010276.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_2010276
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1852
_journal_page_last  1854
_publ_section_title
;
An Mo^V^ Monophosphate, Rb~2~Mo~2~P~2~O~11~
;
loop_
_publ_author_name
  'Guesdon, A.'
  'Leclaire, A.'
  'Borel, M.M.'
  'Grandin, A.'
  'Raveau, B.'
_chemical_formula_moiety  'Rb2 Mo2 P2 O11'
_chemical_formula_sum  'Mo2 O11 P2 Rb2'
_chemical_formula_weight  600.76
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,-y,-z'
  '-x,1/2+y,1/2-z'
_cell_length_a  9.973(2)
_cell_length_b  10.180(2)
_cell_length_c  10.0120(10)
_cell_angle_alpha  90
_cell_angle_beta  97.700(10)
_cell_angle_gamma  90
_cell_volume  1007.2(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  274
_exptl_crystal_density_diffrn  3.96
_refine_ls_R_factor_obs  0.041
_refine_ls_wR_factor_obs  0.046
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Mo(1) .34580(10)
  .08540(10)
  .13440(10)
  Mo(2) .07940(10)
  .32230(10)
  .14740(10)
  P(1) .3968(3) .3743(4) .3171(3)
  P(2) .1263(3) .0754(4) .3541(3)
  Rb(1) .0 .0 .0
  Rb(2) .7620(2) .1852(2) .2901(2)
  Rb(3) .5132(4) .0685(5) .5069(3)
  O(1) .2846(9) -.0580(10)
  .0640(10)
  O(2) .4286(9) .1493(9) -.0290(10)
  O(3) .2681(9) .0530(10)
  .3170(10)
  O(4) .5255(9) -.0040(10)
  .2210(10)
  O(5) .1952(9) .1957(9) .0958(9)
  O(6) .4436(9) .2550(10)
  .2434(9)
  O(7) -.0700(10)
  .2620(10)
  .0680(10)
  O(8) -.0261(9) .4780(10)
  .2232(9)
  O(9) .1340(9) .4489(9) .0063(9)
  O(10) .0680(10)
  .2160(10)
  .3227(9)
  O(11) .2470(9) .4043(9) .2748(9)
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
  Mo(1) O(1) . . 1.70(3) yes
  Mo(1) O(2) . . 2.03(3) yes
  Mo(1) O(3) . . 2.11(3) yes
  Mo(1) O(4) . . 2.09(3) yes
  Mo(1) O(5) . . 1.87(3) yes
  Mo(1) O(6) . . 2.20(3) yes
  Mo(2) O(5) . . 1.85(3) yes
  Mo(2) O(7) . . 1.70(3) yes
  Mo(2) O(8) . . 2.10(3) yes
  Mo(2) O(9) . . 2.04(3) yes
  Mo(2) O(10) . . 2.08(3) yes
  Mo(2) O(11) . . 2.13(3) yes
  P(1) O(2) . 2_555 1.55(3) yes
  P(1) O(4) . 4_655 1.54(3) yes
  P(1) O(6) . . 1.53(3) yes
  P(1) O(11) . . 1.53(3) yes
  P(2) O(3) . . 1.53(3) yes
  P(2) O(8) . 4_545 1.54(3) yes
  P(2) O(9) . 2_555 1.54(3) yes
  P(2) O(10) . . 1.56(3) yes
  Rb(1) O(1) . 3_555 2.89(3) yes
  Rb(1) O(1) . . 2.89(3) yes
  Rb(1) O(5) . 3_555 2.86(3) yes
  Rb(1) O(5) . . 2.86(3) yes
  Rb(1) O(7) . . 2.86(3) yes
  Rb(1) O(7) . 3_555 2.86(3) yes
  Rb(1) O(8) . 2_554 2.76(3) yes
  Rb(1) O(8) . 4_545 2.76(3) yes
  Rb(2) O(1) . 4_655 3.05(3) yes
  Rb(2) O(4) . . 3.05(3) yes
  Rb(2) O(6) . . 3.23(3) yes
  Rb(2) O(7) . 1_655 3.06(3) yes
  Rb(2) O(7) . 2_655 3.10(3) yes
  Rb(2) O(8) . 4_645 3.39(3) yes
  Rb(2) O(9) . 4_645 3.23(3) yes
  Rb(2) O(10) . 1_655 3.04(3) yes
  Rb(2) O(11) . 4_645 2.93(3) yes
  Rb(3) O(2) . 2_555 3.00(3) yes
  Rb(3) O(3) . . 2.89(3) yes
  Rb(3) O(3) . 3_656 2.89(3) yes
  Rb(3) O(4) . . 2.97(3) yes
  Rb(3) O(4) . 3_656 2.88(3) yes
  Rb(3) O(6) . . 3.25(3) yes
  Rb(3) O(6) . 2_555 3.12(3) yes