#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/17/2001756.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001756
loop_
_publ_author_name
'Gall, P.'
'Gougeon, P.'
_publ_section_title
;
 Structure of Ce₁₆Mo₂₁O₅₆ containing single Mo atoms and isolated
 Mo₁₀ clusters
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              659
_journal_page_last               663
_journal_paper_doi               10.1107/S0108270192011533
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ce16 Mo21 O56'
_chemical_formula_weight         5152.63
_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                 99.920(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.450(3)
_cell_length_b                   13.398(5)
_cell_length_c                   13.357(4)
_cell_volume                     2371.0(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.597
_exptl_crystal_density_diffrn    7.217
_exptl_crystal_F_000             4516
_cod_data_source_file            du1018.cif
_cod_data_source_block           du1018_structure_1_of_1
_cod_original_cell_volume        2371.0(12)
_cod_database_code               2001756
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce(1) .36673(4) .11915(4) .27919(4)
Ce(2) .14122(4) .30375(4) .27438(4)
Ce(3) .32849(4) .30971(5) .07289(4)
Ce(4) .10832(4) .11063(4) .05029(4)
Ce(5) .64390(4) .16581(4) .64363(4)
Ce(6) .84709(4) .09661(5) .13425(4)
Ce(7) .12967(4) -.16883(4) .13818(4)
Ce(8) .68169(4) .12388(5) .35409(4)
Mo(1) .52337(6) -.07504(7) .21584(6)
Mo(2) .51528(6) .28934(6) .42867(6)
Mo(3) .35433(6) -.05441(6) .06243(6)
Mo(4) .35216(6) .08522(7) .92249(6)
Mo(5) .48478(6) -.07318(6) -.07708(6)
Mo(6) .03950(6) -.00542(7) .28344(6)
Mo(7) .19833(6) .00798(7) .42532(6)
Mo(8) .93242(6) .14665(6) .55962(6)
Mo(9) .04699(6) .14339(6) .42144(6)
Mo(10) .91292(6) -.01035(6) .42363(6)
Mo(11) .500 .000 .500
O(1) .3305(6) .0910(6) .7635(5)
O(2) .3731(5) .9431(5) .2202(5)
O(3) .4678(5) .5737(5) .2669(5)
O(4) .4942(5) .2774(5) .2767(5)
O(5) .4660(6) .0767(6) .6207(5)
O(6) .3663(6) .2605(5) .4146(5)
O(7) .3372(6) .7082(6) .5634(5)
O(8) .4821(5) .7245(5) .4223(5)
O(9) .4615(6) .8695(6) .5603(5)
O(10) .3660(5) .3987(5) .5815(5)
O(11) .3310(5) .5689(5) .4034(5)
O(12) .2021(5) .5467(6) .5482(5)
O(13) .2052(5) .4026(6) .4146(5)
O(14) .0259(5) .1384(5) .2639(5)
O(15) .0437(6) .8438(5) .2842(5)
O(16) .1121(5) .4805(5) .2290(5)
O(17) .1866(6) -.0091(6) .2759(5)
O(18) .0105(6) .5085(6) .6203(5)
O(19) .1989(5) .1570(6) .4164(5)
O(20) .2231(6) .8630(6) .4492(5)
O(21) .2396(5) .0253(5) .5767(5)
O(22) .3559(5) .0162(6) .4211(5)
O(23) .0890(5) .1650(6) .5783(5)
O(24) .1114(5) .8579(5) .5977(5)
O(25) .0736(5) .7032(5) .4547(5)
O(26) .0435(5) .2887(5) .4067(5)
O(27) .2483(6) .7748(6) .7565(6)
O(28) .2387(6) .2927(6) .6765(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Mo(1) Mo(2) 2.6370(10)
Mo(1) Mo(4) 2.7020(10)
Mo(1) Mo(5) 2.7060(10)
Mo(1) Mo(3) 2.8000(10)
Mo(2) Mo(5) 2.7060(10)
Mo(2) Mo(3) 2.7200(10)
Mo(2) Mo(4) 2.7540(10)
Mo(3) Mo(4) 2.6410(10)
Mo(3) Mo(5) 2.7380(10)
Mo(3) Mo(5) 2.7820(10)
Mo(4) Mo(5) 2.7460(10)
Mo(4) Mo(5) 2.7720(10)
Mo(5) Mo(5) 2.8220(10)
Mo(1) O(1) 1.949(8)
Mo(1) O(4) 1.995(7)
Mo(1) O(3) 2.007(7)
Mo(1) O(2) 2.047(7)
Mo(1) O(5) 2.164(7)
Mo(2) O(7) 1.969(8)
Mo(2) O(8) 1.993(7)
Mo(2) O(4) 2.007(7)
Mo(2) O(6) 2.018(8)
Mo(2) O(9) 2.152(8)
Mo(3) O(12) 2.026(7)
Mo(3) O(7) 2.074(8)
Mo(3) O(2) 2.079(7)
Mo(3) O(11) 2.102(7)
Mo(3) O(10) 2.104(7)
Mo(4) O(13) 1.967(7)
Mo(4) O(6) 2.081(7)
Mo(6) Mo(7) 2.6060(10)
Mo(6) Mo(9) 2.7060(10)
Mo(6) Mo(10) 2.7400(10)
Mo(6) Mo(8) 2.8010(10)
Mo(7) Mo(10) 2.7110(10)
Mo(7) Mo(8) 2.7470(10)
Mo(7) Mo(9) 2.7210(10)
Mo(8) Mo(9) 2.6010(10)
Mo(8) Mo(10) 2.7480(10)
Mo(8) Mo(10) 2.7620(10)
Mo(9) Mo(10) 2.7140(10)
Mo(9) Mo(10) 2.7410(10)
Mo(10) Mo(10) 2.8420(10)
Mo(6) O(14) 1.950(7)
Mo(6) O(17) 1.999(8)
Mo(6) O(15) 2.020(7)
Mo(6) O(16) 2.025(7)
Mo(6) O(18) 2.147(7)
Mo(7) O(20) 1.987(8)
Mo(7) O(17) 1.988(7)
Mo(7) O(19) 2.000(8)
Mo(7) O(21) 2.016(7)
Mo(7) O(22) 2.133(7)
Mo(8) O(25) 2.021(7)
Mo(8) O(15) 2.059(7)
Mo(8) O(20) 2.078(8)
Mo(8) O(24) 2.084(7)
Mo(8) O(23) 2.093(7)
Mo(9) O(26) 1.956(7)
Mo(9) O(19) 2.064(7)
Mo(4) O(11) 2.094(7)
Mo(4) O(1) 2.095(7)
Mo(4) O(10) 2.110(7)
Mo(5) O(8) 2.028(7)
Mo(5) O(11) 2.040(7)
Mo(5) O(10) 2.052(7)
Mo(5) O(3) 2.057(7)
Mo(11) O(5) 2.029(7)
Mo(11) O(9) 2.030(8)
Mo(11) O(22) 2.051(8)
Ce(1) O(28) 2.330(8)
Ce(1) O(22) 2.369(7)
Ce(1) O(3) 2.485(7)
Ce(1) O(2) 2.493(7)
Ce(1) O(6) 2.619(7)
Ce(1) O(10) 2.650(7)
Ce(1) O(4) 2.731(7)
Ce(1) O(9) 2.872(8)
Ce(1) O(17) 2.964(8)
Ce(1) O(19) 3.184(7)
Ce(2) O(13) 2.334(8)
Ce(2) O(26) 2.385(7)
Ce(2) O(28) 2.385(7)
Ce(2) O(16) 2.459(7)
Ce(2) O(15) 2.533(8)
Ce(2) O(23) 2.626(7)
Ce(2) O(14) 2.693(7)
Ce(2) O(19) 2.750(7)
Ce(2) O(1) 2.935(8)
Ce(3) O(5) 2.396(8)
Ce(3) O(28) 2.415(8)
Ce(3) O(6) 2.446(7)
Ce(3) O(21) 2.517(7)
Ce(3) O(19) 2.520(8)
Ce(3) O(8) 2.782(7)
Ce(3) O(10) 2.837(7)
Ce(3) O(1) 2.868(7)
Ce(3) O(22) 2.153(7)
Ce(3) O(4) 3.237(7)
Ce(3) O(23) 3.251(7)
Mo(9) O(14) 2.076(7)
Mo(9) O(23) 2.094(7)
Mo(9) O(24) 2.102(7)
Mo(10) O(16) 2.013(7)
Mo(10) O(21) 2.061(7)
Mo(10) O(23) 2.072(7)
Mo(10) O(24) 2.080(7)
Ce(5) O(8) 2.300(7)
Ce(5) O(27) 2.312(7)
Ce(5) O(2) 2.373(7)
Ce(5) O(20) 2.377(7)
Ce(5) O(22) 2.588(7)
Ce(5) O(5) 2.644(7)
Ce(5) O(9) 2.885(8)
Ce(5) O(4) 3.004(7)
Ce(5) O(17) 3.149(8)
Ce(5) O(7) 3.287(7)
Ce(6) O(25) 2.242(7)
Ce(6) O(16) 2.389(7)
Ce(6) O(11) 2.390(7)
Ce(6) O(12) 2.503(7)
Ce(6) O(18) 2.643(8)
Ce(6) O(27) 2.718(8)
Ce(6) O(13) 2.742(8)
Ce(6) O(14) 2.768(7)
Ce(7) O(12) 2.340(7)
Ce(7) O(26) 2.372(7)
Ce(7) O(15) 2.439(7)
Ce(7) O(25) 2.480(7)
Ce(7) O(27) 2.488(8)
Ce(7) O(24) 2.594(7)
Ce(7) O(18) 2.667(8)
Ce(7) O(17) 2.841(7)
Ce(7) O(7) 3.167(7)
Ce(4) O(18) 2.362(8)
Ce(4) O(26) 2.384(7)
Ce(4) O(13) 2.415(7)
Ce(4) O(12) 2.459(8)
Ce(4) O(28) 2.564(8)
Ce(4) O(25) 2.733(7)
Ce(4) O(18) 2.892(8)
Ce(4) O(23) 3.046(7)
Ce(4) O(14) 3.255(7)
Ce(4) O(17) 3.416(7)
Ce(4) O(10) 3.421(7)
Ce(8) O(27) 2.322(7)
Ce(8) O(21) 2.374(7)
Ce(8) O(9) 2.404(7)
Ce(8) O(3) 2.447(7)
Ce(8) O(7) 2.537(8)
Ce(8) O(20) 2.723(7)
Ce(8) O(24) 2.757(7)
Ce(8) O(1) 3.271(8)
Ce(8) O(4) 3.280(7)
Ce(8) O(5) 3.393(7)
