# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global

_journal_coden_Cambridge         222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Edmund Cussen'
'Claire Wilson'
'Thomas W. S. Yip'

_publ_contact_author_name        'Edmund Cussen'
_publ_contact_author_email       EDMUND.CUSSEN@STRATH.AC.UK

_publ_section_title              
;
Spontaneous Formation
of Crystalline Lithium Molybdate from Solid Reagents at Room Temperature
;

# Attachment 'EJCussen_LI2MO4.CIF'

data_li2mo4
_database_code_depnum_ccdc_archive 'CCDC 729688'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Li2 Mo O4'
_chemical_formula_weight         173.82

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   14.3178(14)
_cell_length_b                   14.3178
_cell_length_c                   9.5757(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     1700.0(2)
_cell_formula_units_Z            18
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2671
_cell_measurement_theta_min      2.7
_cell_measurement_theta_max      27.45

_exptl_crystal_description       column
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.056
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1440
_exptl_absorpt_coefficient_mu    3.319
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.536
_exptl_absorpt_correction_T_max  0.718
_exptl_absorpt_process_details   '(Bruker SHELXTL; Bruker, 2001)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         ' sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            3533
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_av_sigmaI/netI    0.0123
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.69
_diffrn_reflns_theta_max         27.46
_reflns_number_total             867
_reflns_number_gt                858
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       'Bruker SMART version 5.625 (Bruker, 2001)'
_computing_cell_refinement       'Bruker SAINT version 6.36a (Bruker, 2000)'
_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL (Bruker, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  'enCIFer(Allen et al.,2004);PLATON(Spek,2003)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0163P)^2^+2.0800P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00017(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         867
_refine_ls_number_parameters     65
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0158
_refine_ls_R_factor_gt           0.0154
_refine_ls_wR_factor_ref         0.0363
_refine_ls_wR_factor_gt          0.0361
_refine_ls_goodness_of_fit_ref   1.259
_refine_ls_restrained_S_all      1.259
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.647338(13) 0.118283(13) 0.083910(18) 0.00836(8) Uani 1 1 d . . .
Li1 Li 0.4550(3) 0.1411(3) 0.2472(4) 0.0136(8) Uani 1 1 d . . .
Li2 Li 0.8560(3) 0.3091(3) -0.0816(4) 0.0138(8) Uani 1 1 d . . .
O1 O 0.66476(11) 0.00505(11) 0.08466(16) 0.0117(3) Uani 1 1 d . . .
O2 O 0.57914(11) 0.11951(11) 0.23685(15) 0.0122(3) Uani 1 1 d . . .
O3 O 0.77690(12) 0.23377(12) 0.08354(15) 0.0130(3) Uani 1 1 d . . .
O4 O 0.57780(11) 0.11881(11) -0.06860(15) 0.0122(3) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Mo1 0.00860(11) 0.00955(11) 0.00723(12) 0.00005(6) 0.00003(6) 0.00476(7)
Li1 0.0139(17) 0.0135(18) 0.014(2) 0.0008(13) 0.0015(13) 0.0072(14)
Li2 0.0122(17) 0.0124(17) 0.014(2) 0.0007(13) 0.0019(13) 0.0039(14)
O1 0.0109(7) 0.0117(7) 0.0131(8) 0.0005(5) 0.0003(5) 0.0062(6)
O2 0.0121(7) 0.0165(7) 0.0097(7) 0.0004(5) 0.0002(5) 0.0084(6)
O3 0.0134(7) 0.0125(7) 0.0115(8) -0.0001(5) -0.0002(5) 0.0052(6)
O4 0.0127(7) 0.0151(7) 0.0095(7) 0.0001(5) 0.0000(5) 0.0074(6)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O1 1.7593(14) . ?
Mo1 O3 1.7630(14) . ?
Mo1 O2 1.7651(15) . ?
Mo1 O4 1.7697(14) . ?
Mo1 Li1 3.213(4) 18_545 ?
Mo1 Li2 3.215(4) 17_554 ?
Mo1 Li1 3.245(3) 14 ?
Mo1 Li2 3.277(3) . ?
Mo1 Li2 3.282(3) 12_545 ?
Mo1 Li1 3.314(4) 2_655 ?
Mo1 Li1 3.322(3) . ?
Mo1 Li2 3.378(4) 3_665 ?
Li1 O3 1.950(4) 3_665 ?
Li1 O2 1.953(4) . ?
Li1 O1 1.953(4) 15_445 ?
Li1 O2 1.995(4) 17 ?
Li1 Li2 3.149(6) 3_665 ?
Li1 Mo1 3.213(4) 17 ?
Li1 Mo1 3.246(3) 15_445 ?
Li1 Li2 3.268(5) 5_545 ?
Li1 Mo1 3.314(4) 3_665 ?
Li1 Li1 3.337(5) 17 ?
Li1 Li1 3.337(5) 18_545 ?
Li2 O3 1.930(4) . ?
Li2 O1 1.949(4) 11_665 ?
Li2 O4 1.980(4) 18_544 ?
Li2 O4 1.995(4) 2_655 ?
Li2 Li1 3.149(6) 2_655 ?
Li2 Mo1 3.215(4) 18_544 ?
Li2 Li1 3.268(5) 9_654 ?
Li2 Mo1 3.282(3) 11_665 ?
Li2 Li2 3.327(5) 18_544 ?
Li2 Li2 3.327(5) 17_554 ?
Li2 Mo1 3.378(4) 2_655 ?
O1 Li2 1.949(4) 12_545 ?
O1 Li1 1.953(4) 14 ?
O2 Li1 1.995(4) 18_545 ?
O3 Li1 1.950(4) 2_655 ?
O4 Li2 1.980(4) 17_554 ?
O4 Li2 1.995(4) 3_665 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mo1 O3 107.27(6) . . ?
O1 Mo1 O2 109.87(7) . . ?
O3 Mo1 O2 108.67(7) . . ?
O1 Mo1 O4 110.28(7) . . ?
O3 Mo1 O4 108.95(7) . . ?
O2 Mo1 O4 111.68(7) . . ?
O1 Mo1 Li1 90.65(8) . 18_545 ?
O3 Mo1 Li1 89.77(8) . 18_545 ?
O2 Mo1 Li1 33.47(8) . 18_545 ?
O4 Mo1 Li1 145.14(8) . 18_545 ?
O1 Mo1 Li2 91.35(8) . 17_554 ?
O3 Mo1 Li2 90.48(8) . 17_554 ?
O2 Mo1 Li2 144.62(7) . 17_554 ?
O4 Mo1 Li2 32.95(8) . 17_554 ?
Li1 Mo1 Li2 177.82(9) 18_545 17_554 ?
O1 Mo1 Li1 30.75(7) . 14 ?
O3 Mo1 Li1 76.51(8) . 14 ?
O2 Mo1 Li1 120.98(8) . 14 ?
O4 Mo1 Li1 121.98(8) . 14 ?
Li1 Mo1 Li1 90.34(9) 18_545 14 ?
Li2 Mo1 Li1 91.82(9) 17_554 14 ?
O1 Mo1 Li2 106.24(8) . . ?
O3 Mo1 Li2 28.83(8) . . ?
O2 Mo1 Li2 132.17(8) . . ?
O4 Mo1 Li2 82.98(8) . . ?
Li1 Mo1 Li2 118.55(9) 18_545 . ?
Li2 Mo1 Li2 61.65(8) 17_554 . ?
Li1 Mo1 Li2 79.48(9) 14 . ?
O1 Mo1 Li2 29.34(8) . 12_545 ?
O3 Mo1 Li2 136.60(8) . 12_545 ?
O2 Mo1 Li2 95.11(8) . 12_545 ?
O4 Mo1 Li2 94.24(8) . 12_545 ?
Li1 Mo1 Li2 91.20(9) 18_545 12_545 ?
Li2 Mo1 Li2 90.11(9) 17_554 12_545 ?
Li1 Mo1 Li2 60.10(8) 14 12_545 ?
Li2 Mo1 Li2 130.21(10) . 12_545 ?
O1 Mo1 Li1 106.63(8) . 2_655 ?
O3 Mo1 Li1 28.33(8) . 2_655 ?
O2 Mo1 Li1 82.90(8) . 2_655 ?
O4 Mo1 Li1 131.63(8) . 2_655 ?
Li1 Mo1 Li1 61.47(8) 18_545 2_655 ?
Li2 Mo1 Li1 118.70(9) 17_554 2_655 ?
Li1 Mo1 Li1 79.54(9) 14 2_655 ?
Li2 Mo1 Li1 57.08(10) . 2_655 ?
Li2 Mo1 Li1 131.50(9) 12_545 2_655 ?
O1 Mo1 Li1 126.53(8) . . ?
O3 Mo1 Li1 116.35(8) . . ?
O2 Mo1 Li1 28.18(8) . . ?
O4 Mo1 Li1 83.82(8) . . ?
Li1 Mo1 Li1 61.39(8) 18_545 . ?
Li2 Mo1 Li1 116.62(9) 17_554 . ?
Li1 Mo1 Li1 147.37(7) 14 . ?
Li2 Mo1 Li1 126.93(9) . . ?
Li2 Mo1 Li1 101.86(9) 12_545 . ?
Li1 Mo1 Li1 98.45(12) 2_655 . ?
O1 Mo1 Li2 127.32(7) . 3_665 ?
O3 Mo1 Li2 115.76(8) . 3_665 ?
O2 Mo1 Li2 84.16(8) . 3_665 ?
O4 Mo1 Li2 27.94(8) . 3_665 ?
Li1 Mo1 Li2 117.44(9) 18_545 3_665 ?
Li2 Mo1 Li2 60.56(8) 17_554 3_665 ?
Li1 Mo1 Li2 148.39(10) 14 3_665 ?
Li2 Mo1 Li2 98.04(13) . 3_665 ?
Li2 Mo1 Li2 102.01(8) 12_545 3_665 ?
Li1 Mo1 Li2 125.72(8) 2_655 3_665 ?
Li1 Mo1 Li2 56.07(10) . 3_665 ?
O3 Li1 O2 108.36(18) 3_665 . ?
O3 Li1 O1 111.01(19) 3_665 15_445 ?
O2 Li1 O1 106.87(17) . 15_445 ?
O3 Li1 O2 114.73(18) 3_665 17 ?
O2 Li1 O2 110.51(19) . 17 ?
O1 Li1 O2 105.08(18) 15_445 17 ?
O3 Li1 Li2 35.53(10) 3_665 3_665 ?
O2 Li1 Li2 88.06(15) . 3_665 ?
O1 Li1 Li2 90.62(15) 15_445 3_665 ?
O2 Li1 Li2 150.21(17) 17 3_665 ?
O3 Li1 Mo1 143.94(16) 3_665 17 ?
O2 Li1 Mo1 93.23(14) . 17 ?
O1 Li1 Mo1 88.71(14) 15_445 17 ?
O2 Li1 Mo1 29.21(7) 17 17 ?
Li2 Li1 Mo1 178.67(13) 3_665 17 ?
O3 Li1 Mo1 95.60(13) 3_665 15_445 ?
O2 Li1 Mo1 134.25(16) . 15_445 ?
O1 Li1 Mo1 27.43(7) 15_445 15_445 ?
O2 Li1 Mo1 92.65(13) 17 15_445 ?
Li2 Li1 Mo1 90.06(11) 3_665 15_445 ?
Mo1 Li1 Mo1 88.82(9) 17 15_445 ?
O3 Li1 Li2 124.60(18) 3_665 5_545 ?
O2 Li1 Li2 73.86(13) . 5_545 ?
O1 Li1 Li2 33.07(9) 15_445 5_545 ?
O2 Li1 Li2 115.49(17) 17 5_545 ?
Li2 Li1 Li2 91.52(13) 3_665 5_545 ?
Mo1 Li1 Li2 88.54(12) 17 5_545 ?
Mo1 Li1 Li2 60.50(8) 15_445 5_545 ?
O3 Li1 Mo1 25.40(7) 3_665 3_665 ?
O2 Li1 Mo1 117.95(15) . 3_665 ?
O1 Li1 Mo1 124.02(15) 15_445 3_665 ?
O2 Li1 Mo1 89.50(12) 17 3_665 ?
Li2 Li1 Mo1 60.87(9) 3_665 3_665 ?
Mo1 Li1 Mo1 118.67(11) 17 3_665 ?
Mo1 Li1 Mo1 100.46(9) 15_445 3_665 ?
Li2 Li1 Mo1 147.73(15) 5_545 3_665 ?
O3 Li1 Mo1 85.32(13) 3_665 . ?
O2 Li1 Mo1 25.27(7) . . ?
O1 Li1 Mo1 107.09(14) 15_445 . ?
O2 Li1 Mo1 132.00(15) 17 . ?
Li2 Li1 Mo1 62.87(9) 3_665 . ?
Mo1 Li1 Mo1 118.43(11) 17 . ?
Mo1 Li1 Mo1 130.13(11) 15_445 . ?
Li2 Li1 Mo1 78.17(10) 5_545 . ?
Mo1 Li1 Mo1 100.73(10) 3_665 . ?
O3 Li1 Li1 83.15(12) 3_665 17 ?
O2 Li1 Li1 119.98(13) . 17 ?
O1 Li1 Li1 123.73(18) 15_445 17 ?
O2 Li1 Li1 31.90(11) 17 17 ?
Li2 Li1 Li1 118.65(15) 3_665 17 ?
Mo1 Li1 Li1 60.91(13) 17 17 ?
Mo1 Li1 Li1 100.72(12) 15_445 17 ?
Li2 Li1 Li1 145.60(19) 5_545 17 ?
Mo1 Li1 Li1 57.78(8) 3_665 17 ?
Mo1 Li1 Li1 128.70(7) . 17 ?
O3 Li1 Li1 133.13(15) 3_665 18_545 ?
O2 Li1 Li1 32.67(6) . 18_545 ?
O1 Li1 Li1 107.09(17) 15_445 18_545 ?
O2 Li1 Li1 79.34(17) 17 18_545 ?
Li2 Li1 Li1 120.56(15) 3_665 18_545 ?
Mo1 Li1 Li1 60.75(13) 17 18_545 ?
Mo1 Li1 Li1 129.57(14) 15_445 18_545 ?
Li2 Li1 Li1 78.28(12) 5_545 18_545 ?
Mo1 Li1 Li1 128.81(7) 3_665 18_545 ?
Mo1 Li1 Li1 57.70(8) . 18_545 ?
Li1 Li1 Li1 97.68(16) 17 18_545 ?
O3 Li2 O1 114.2(2) . 11_665 ?
O3 Li2 O4 117.40(18) . 18_544 ?
O1 Li2 O4 106.84(18) 11_665 18_544 ?
O3 Li2 O4 106.83(18) . 2_655 ?
O1 Li2 O4 99.56(16) 11_665 2_655 ?
O4 Li2 O4 110.55(19) 18_544 2_655 ?
O3 Li2 Li1 35.97(11) . 2_655 ?
O1 Li2 Li1 90.54(15) 11_665 2_655 ?
O4 Li2 Li1 153.36(17) 18_544 2_655 ?
O4 Li2 Li1 85.44(14) 2_655 2_655 ?
O3 Li2 Mo1 146.47(16) . 18_544 ?
O1 Li2 Mo1 87.95(13) 11_665 18_544 ?
O4 Li2 Mo1 29.08(7) 18_544 18_544 ?
O4 Li2 Mo1 92.91(14) 2_655 18_544 ?
Li1 Li2 Mo1 177.55(14) 2_655 18_544 ?
O3 Li2 Li1 96.78(16) . 9_654 ?
O1 Li2 Li1 33.15(9) 11_665 9_654 ?
O4 Li2 Li1 92.86(15) 18_544 9_654 ?
O4 Li2 Li1 132.64(16) 2_655 9_654 ?
Li1 Li2 Li1 91.06(14) 2_655 9_654 ?
Mo1 Li2 Li1 88.73(12) 18_544 9_654 ?
O3 Li2 Mo1 26.14(7) . . ?
O1 Li2 Mo1 129.49(16) 11_665 . ?
O4 Li2 Mo1 91.37(12) 18_544 . ?
O4 Li2 Mo1 117.74(15) 2_655 . ?
Li1 Li2 Mo1 62.05(9) 2_655 . ?
Mo1 Li2 Mo1 120.38(11) 18_544 . ?
Li1 Li2 Mo1 101.51(12) 9_654 . ?
O3 Li2 Mo1 123.02(16) . 11_665 ?
O1 Li2 Mo1 26.25(7) 11_665 11_665 ?
O4 Li2 Mo1 114.91(15) 18_544 11_665 ?
O4 Li2 Mo1 73.33(11) 2_655 11_665 ?
Li1 Li2 Mo1 89.63(11) 2_655 11_665 ?
Mo1 Li2 Mo1 88.16(9) 18_544 11_665 ?
Li1 Li2 Mo1 59.41(8) 9_654 11_665 ?
Mo1 Li2 Mo1 146.77(13) . 11_665 ?
O3 Li2 Li2 132.61(15) . 18_544 ?
O1 Li2 Li2 100.51(17) 11_665 18_544 ?
O4 Li2 Li2 78.91(17) 18_544 18_544 ?
O4 Li2 Li2 33.03(6) 2_655 18_544 ?
Li1 Li2 Li2 118.36(15) 2_655 18_544 ?
Mo1 Li2 Li2 60.09(13) 18_544 18_544 ?
Li1 Li2 Li2 128.16(16) 9_654 18_544 ?
Mo1 Li2 Li2 129.47(7) . 18_544 ?
Mo1 Li2 Li2 77.91(11) 11_665 18_544 ?
O3 Li2 Li2 84.39(12) . 17_554 ?
O1 Li2 Li2 129.38(19) 11_665 17_554 ?
O4 Li2 Li2 33.32(11) 18_544 17_554 ?
O4 Li2 Li2 120.34(12) 2_655 17_554 ?
Li1 Li2 Li2 120.27(15) 2_655 17_554 ?
Mo1 Li2 Li2 62.14(13) 18_544 17_554 ?
Li1 Li2 Li2 102.02(14) 9_654 17_554 ?
Mo1 Li2 Li2 58.26(8) . 17_554 ?
Mo1 Li2 Li2 146.45(18) 11_665 17_554 ?
Li2 Li2 Li2 98.06(16) 18_544 17_554 ?
O3 Li2 Mo1 84.04(13) . 2_655 ?
O1 Li2 Mo1 101.35(14) 11_665 2_655 ?
O4 Li2 Mo1 131.38(16) 18_544 2_655 ?
O4 Li2 Mo1 24.56(7) 2_655 2_655 ?
Li1 Li2 Mo1 61.06(9) 2_655 2_655 ?
Mo1 Li2 Mo1 117.37(11) 18_544 2_655 ?
Li1 Li2 Mo1 129.55(13) 9_654 2_655 ?
Mo1 Li2 Mo1 100.32(10) . 2_655 ?
Mo1 Li2 Mo1 77.99(8) 11_665 2_655 ?
Li2 Li2 Mo1 57.30(8) 18_544 2_655 ?
Li2 Li2 Mo1 128.08(7) 17_554 2_655 ?
Mo1 O1 Li2 124.40(13) . 12_545 ?
Mo1 O1 Li1 121.82(12) . 14 ?
Li2 O1 Li1 113.77(15) 12_545 14 ?
Mo1 O2 Li1 126.55(14) . . ?
Mo1 O2 Li1 117.32(13) . 18_545 ?
Li1 O2 Li1 115.43(13) . 18_545 ?
Mo1 O3 Li2 125.03(13) . . ?
Mo1 O3 Li1 126.28(13) . 2_655 ?
Li2 O3 Li1 108.50(17) . 2_655 ?
Mo1 O4 Li2 117.97(13) . 17_554 ?
Mo1 O4 Li2 127.50(14) . 3_665 ?
Li2 O4 Li2 113.66(13) 17_554 3_665 ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.084