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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/93/2009381.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_2009381
loop_
_publ_author_name
'Gall, P.'
'Gougeon, P.'
_publ_section_title
;
Structure of SrMo₅O₈ Containing Chains of Bioctahedral
 Mo₁₀ Clusters
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              07
_journal_page_last               09
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Mo5 O8 Sr'
_chemical_formula_weight         695.32
_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                 109.301(8)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.553(2)
_cell_length_b                   9.1556(8)
_cell_length_c                   9.966(2)
_cell_measurement_temperature    295
_cell_volume                     650.4(2)
_exptl_crystal_density_diffrn    7.101
_refine_ls_R_factor_obs          0.029
_refine_ls_wR_factor_obs         0.034
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Mo5 O8 Sr1'
_cod_database_code               2009381
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr .25329(7) .50438(6) .53902(5)
Mo(1) .61055(6) -.11419(5) .48310(4)
Mo(2) .37999(6) -.11642(5) .68173(4)
Mo(3) .17811(6) -.12613(5) .38723(4)
Mo(4) .81300(6) -.13202(5) .29940(4)
Mo(5) -.00147(6) -.12251(5) .58638(4)
O(1) .3950(5) .0057(4) .8395(4)
O(2) .0045(5) -.2248(4) .9357(4)
O(3) -.0078(5) .0006(4) .2371(4)
O(4) .4010(5) -.2563(4) .0196(4)
O(5) .7983(5) -.2486(5) .1179(4)
O(6) .2018(5) -.2462(4) .2160(4)
O(7) .6029(5) -.2401(5) .8270(4)
O(8) .3864(5) -.0017(5) .3335(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Mo(1) Mo(2) 2.6905(6) yes
Mo(1) Mo(4) 2.7507(6) yes
Mo(1) Mo(5) 2.7672(6) yes
Mo(1) Mo(3) 2.7740(7) yes
Mo(1) Mo(1) 2.7651(9) yes
Mo(1) Mo(2) 3.0380(6) yes
Mo(1) Mo(3) 3.0869(6) yes
Mo(2) Mo(5) 2.7196(6) yes
Mo(2) Mo(4) 2.7413(7) yes
Mo(2) Mo(3) 2.8263(6) yes
Mo(3) Mo(4) 2.6034(6) yes
Mo(3) Mo(5) 2.6950(6) yes
Mo(3) Mo(5) 2.7494(6) yes
Mo(4) Mo(5) 2.7389(6) yes
Mo(4) Mo(5) 2.7715(7) yes
Mo(5) Mo(5) 2.8324(9) yes
Sr O(1) 2.529(4) yes
Sr O(1) 2.552(4) yes
Sr O(4) 2.597(4) yes
Sr O(7) 2.648(4) yes
Sr O(2) 2.718(4) yes
Sr O(5) 2.750(4) yes
Sr O(3) 2.764(4) yes
Sr O(8) 2.770(4) yes
Sr O(2) 2.930(4) yes
Sr O(6) 2.935(4) yes
Sr O(3) 3.219(4) yes
Mo(1) O(5) 2.034(4) yes
Mo(1) O(7) 2.036(4) yes
Mo(1) O(4) 2.104(4) yes
Mo(1) O(8) 2.106(4) yes
Mo(1) O(8) 2.117(4) yes
Mo(2) O(1) 1.902(4) yes
Mo(2) O(6) 1.953(4) yes
Mo(2) O(4) 2.040(4) yes
Mo(2) O(8) 2.117(4) yes
Mo(2) O(7) 2.145(4) yes
Mo(3) O(3) 2.042(4) yes
Mo(3) O(2) 2.058(4) yes
Mo(3) O(4) 2.065(4) yes
Mo(3) O(6) 2.087(4) yes
Mo(3) O(8) 2.148(4) yes
Mo(4) O(3) 2.061(4) yes
Mo(4) O(7) 2.062(4) yes
Mo(4) O(1) 2.070(4) yes
Mo(4) O(5) 2.071(4) yes
Mo(4) O(2) 2.087(4) yes
Mo(5) O(5) 2.023(4) yes
Mo(5) O(6) 2.039(4) yes
Mo(5) O(2) 2.063(4) yes
Mo(5) O(3) 2.065(4) yes
