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#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/02/2010276.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
loop_
_publ_author_name
'Guesdon, A.'
'Leclaire, A.'
'Borel, M.M.'
'Grandin, A.'
'Raveau, B.'
_publ_section_title
;
An MoV Monophosphate, Rb₂Mo₂P₂O₁₁
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1852
_journal_page_last               1854
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Rb2 Mo2 P2 O11'
_chemical_formula_sum            'Mo2 O11 P2 Rb2'
_chemical_formula_weight         600.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.700(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.973(2)
_cell_length_b                   10.180(2)
_cell_length_c                   10.0120(10)
_cell_measurement_temperature    274
_cell_volume                     1007.2(5)
_exptl_crystal_density_diffrn    3.96
_refine_ls_R_factor_obs          0.041
_refine_ls_wR_factor_obs         0.046
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010276
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
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
_cod_duplicate_entry 1001613
