# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lcmpo
_database_code_depnum_ccdc_archive 'CCDC 1435917'
_audit_update_record             
;
2015-11-09 deposited with the CCDC.
2015-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          969
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs Li5 Mn O14 P4'
_chemical_formula_weight         570.43

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbcn

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

_cell_length_a                   5.1023(10)
_cell_length_b                   19.717(4)
_cell_length_c                   12.557(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1263.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1068
_exptl_absorpt_coefficient_mu    4.467
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_T_max  0.512
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku AFC8'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10410
_diffrn_reflns_av_R_equivalents  0.0734
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         26.38
_reflns_number_total             1299
_reflns_number_gt                1249
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0627P)²+3.1218P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0334(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1297
_refine_ls_number_parameters     118
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0402
_refine_ls_wR_factor_ref         0.1065
_refine_ls_wR_factor_gt          0.1059
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.000
_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
Cs Cs 0.0000 0.19311(2) 0.7500 0.0399(3) Uani 1 2 d S . .
Mn Mn 0.0000 -0.02531(4) 0.7500 0.0132(3) Uani 1 2 d S . .
P1 P 0.48268(14) 0.05498(4) 0.63541(6) 0.0112(3) Uani 1 1 d . . .
P2 P 0.48112(14) 0.32492(5) 0.86507(6) 0.0120(3) Uani 1 1 d . . .
O1 O -0.3419(4) -0.00755(11) 0.64240(17) 0.0174(5) Uani 1 1 d . . .
O2 O 0.1959(4) 0.03487(11) 0.62311(16) 0.0174(5) Uani 1 1 d . . .
O3 O 0.1913(4) 0.33029(12) 0.88641(17) 0.0189(5) Uani 1 1 d . . .
O4 O -0.1171(5) -0.10676(11) 0.85477(17) 0.0179(5) Uani 1 1 d . . .
O5 O 0.1248(5) 0.22292(11) 1.06151(18) 0.0200(5) Uani 1 1 d . . .
O6 O 0.5000 0.09290(18) 0.7500 0.0146(8) Uani 1 2 d S . .
O7 O 0.5755(5) 0.10671(12) 0.55685(17) 0.0200(5) Uani 1 1 d . . .
O8 O 0.5000 0.2879(2) 0.7500 0.0186(8) Uani 1 2 d S . .
Li1 Li -0.0335(11) 0.3002(3) 0.9989(5) 0.0181(12) Uani 1 1 d . . .
Li2 Li -0.0224(11) 0.4093(3) 0.8992(6) 0.0198(13) Uani 1 1 d . . .
Li3 Li 0.0000 0.0000 0.5000 0.135(12) Uani 1 2 d SU . .


_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
Cs O8 3.163(2) . ?
Cs O8 3.163(2) 1_455 ?
Cs O6 3.227(2) 1_455 ?
Cs O6 3.227(2) . ?
Cs O3 3.347(2) . ?
Cs O3 3.347(2) 3_556 ?
Cs O5 3.465(2) 2_554 ?
Cs O5 3.465(2) 4_457 ?
Cs O2 3.643(2) . ?
Cs O2 3.643(2) 3_556 ?
Cs O7 3.671(2) 1_455 ?
Cs O7 3.671(2) 3_656 ?
Mn O4 2.160(2) 3_556 ?
Mn O4 2.160(2) . ?
Mn O2 2.224(2) 3_556 ?
Mn O2 2.224(2) . ?
Mn O1 2.234(2) 3_556 ?
Mn O1 2.234(2) . ?
Mn Li3 3.1786(6) 3_556 ?
Mn Li3 3.1786(6) . ?
Mn Li2 3.333(6) 6_657 ?
Mn Li2 3.333(6) 8 ?
P1 O7 1.496(2) . ?
P1 O2 1.524(2) . ?
P1 O1 1.526(2) 1_655 ?
P1 O6 1.6239(18) . ?
P1 Li2 2.906(6) 6_657 ?
P1 Li2 3.055(7) 2_554 ?
P1 Cs 4.0565(10) 1_655 ?
P2 O3 1.506(2) . ?
P2 O5 1.509(2) 4_557 ?
P2 O4 1.521(2) 8_665 ?
P2 O8 1.621(2) . ?
P2 Li1 3.001(6) 4_557 ?
P2 Li1 3.033(6) 1_655 ?
P2 Li2 3.060(6) 1_655 ?
P2 Li2 3.090(6) . ?
P2 Cs 3.9814(10) 1_655 ?
O1 P1 1.526(2) 1_455 ?
O1 Li2 1.952(6) 6_557 ?
O1 Li3 2.502(2) . ?
O2 Li3 1.965(2) . ?
O3 Li2 1.908(6) . ?
O3 Li1 1.915(6) . ?
O4 P2 1.521(2) 8_655 ?
O4 Li2 1.948(6) 8 ?
O5 P2 1.509(2) 4_457 ?
O5 Li1 1.895(6) . ?
O5 Li1 1.955(7) 4_557 ?
O5 Cs 3.465(2) 2 ?
O6 P1 1.6239(18) 3_656 ?
O6 Cs 3.227(2) 1_655 ?
O7 Li1 1.986(6) 2_554 ?
O7 Li2 2.023(7) 2_554 ?
O7 Cs 3.671(2) 1_655 ?
O8 P2 1.621(2) 3_656 ?
O8 Cs 3.163(2) 1_655 ?
Li1 O5 1.955(7) 4_457 ?
Li1 O7 1.986(6) 2 ?
Li1 Li2 2.490(8) . ?
Li1 P2 3.001(6) 4_457 ?
Li1 P2 3.033(6) 1_455 ?
Li1 Li1 3.229(7) 4_457 ?
Li1 Li1 3.229(7) 4_557 ?
Li1 Cs 3.952(6) 2_455 ?
Li1 Cs 4.167(6) 2 ?
Li2 O4 1.948(6) 8_565 ?
Li2 O1 1.952(6) 6_667 ?
Li2 O7 2.023(7) 2 ?
Li2 P1 2.906(6) 6_567 ?
Li2 P1 3.055(7) 2 ?
Li2 P2 3.060(6) 1_455 ?
Li2 Li3 3.277(6) 2_455 ?
Li2 Mn 3.333(6) 6_567 ?
Li2 Li3 3.451(6) 2 ?
Li3 O2 1.965(2) 5_556 ?
Li3 O1 2.502(2) 5_556 ?
Li3 Mn 3.1786(6) 5_556 ?
Li3 Li2 3.277(6) 6_657 ?
Li3 Li2 3.277(6) 2_454 ?
Li3 Li2 3.451(6) 2_554 ?
Li3 Li2 3.451(6) 6_557 ?

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
O8 Cs O8 107.53(12) . 1_455 ?
O8 Cs O6 178.48(6) . 1_455 ?
O8 Cs O6 73.99(9) 1_455 1_455 ?
O8 Cs O6 73.99(9) . . ?
O8 Cs O6 178.48(6) 1_455 . ?
O6 Cs O6 104.49(10) 1_455 . ?
O8 Cs O3 44.53(5) . . ?
O8 Cs O3 75.97(6) 1_455 . ?
O6 Cs O3 136.50(5) 1_455 . ?
O6 Cs O3 105.32(6) . . ?
O8 Cs O3 75.97(6) . 3_556 ?
O8 Cs O3 44.53(5) 1_455 3_556 ?
O6 Cs O3 105.32(6) 1_455 3_556 ?
O6 Cs O3 136.50(5) . 3_556 ?
O3 Cs O3 72.18(8) . 3_556 ?
O8 Cs O5 43.28(4) . 2_554 ?
O8 Cs O5 99.39(6) 1_455 2_554 ?
O6 Cs O5 136.83(4) 1_455 2_554 ?
O6 Cs O5 81.71(5) . 2_554 ?
O3 Cs O5 78.60(5) . 2_554 ?
O3 Cs O5 54.94(5) 3_556 2_554 ?
O8 Cs O5 99.39(6) . 4_457 ?
O8 Cs O5 43.28(4) 1_455 4_457 ?
O6 Cs O5 81.71(5) 1_455 4_457 ?
O6 Cs O5 136.83(4) . 4_457 ?
O3 Cs O5 54.94(5) . 4_457 ?
O3 Cs O5 78.60(5) 3_556 4_457 ?
O5 Cs O5 122.92(7) 2_554 4_457 ?
O8 Cs O2 106.55(6) . . ?
O8 Cs O2 136.68(6) 1_455 . ?
O6 Cs O2 72.09(6) 1_455 . ?
O6 Cs O2 42.16(5) . . ?
O3 Cs O2 146.71(5) . . ?
O3 Cs O2 123.25(5) 3_556 . ?
O5 Cs O2 87.64(5) 2_554 . ?
O5 Cs O2 149.26(5) 4_457 . ?
O8 Cs O2 136.68(6) . 3_556 ?
O8 Cs O2 106.55(6) 1_455 3_556 ?
O6 Cs O2 42.16(5) 1_455 3_556 ?
O6 Cs O2 72.09(6) . 3_556 ?
O3 Cs O2 123.25(5) . 3_556 ?
O3 Cs O2 146.71(5) 3_556 3_556 ?
O5 Cs O2 149.26(5) 2_554 3_556 ?
O5 Cs O2 87.64(5) 4_457 3_556 ?
O2 Cs O2 62.17(7) . 3_556 ?
O8 Cs O7 138.61(4) . 1_455 ?
O8 Cs O7 78.37(6) 1_455 1_455 ?
O6 Cs O7 41.35(4) 1_455 1_455 ?
O6 Cs O7 100.51(6) . 1_455 ?
O3 Cs O7 152.28(6) . 1_455 ?
O3 Cs O7 82.23(5) 3_556 1_455 ?
O5 Cs O7 95.54(5) 2_554 1_455 ?
O5 Cs O7 110.31(6) 4_457 1_455 ?
O2 Cs O7 58.36(5) . 1_455 ?
O2 Cs O7 74.31(5) 3_556 1_455 ?
O8 Cs O7 78.37(6) . 3_656 ?
O8 Cs O7 138.61(4) 1_455 3_656 ?
O6 Cs O7 100.51(6) 1_455 3_656 ?
O6 Cs O7 41.35(4) . 3_656 ?
O3 Cs O7 82.23(5) . 3_656 ?
O3 Cs O7 152.28(6) 3_556 3_656 ?
O5 Cs O7 110.31(6) 2_554 3_656 ?
O5 Cs O7 95.54(5) 4_457 3_656 ?
O2 Cs O7 74.31(5) . 3_656 ?
O2 Cs O7 58.36(5) 3_556 3_656 ?
O7 Cs O7 124.70(8) 1_455 3_656 ?
O4 Mn O4 83.96(12) 3_556 . ?
O4 Mn O2 163.19(9) 3_556 3_556 ?
O4 Mn O2 80.56(8) . 3_556 ?
O4 Mn O2 80.56(8) 3_556 . ?
O4 Mn O2 163.19(9) . . ?
O2 Mn O2 115.51(12) 3_556 . ?
O4 Mn O1 105.60(9) 3_556 3_556 ?
O4 Mn O1 87.94(8) . 3_556 ?
O2 Mn O1 80.44(8) 3_556 3_556 ?
O2 Mn O1 89.93(8) . 3_556 ?
O4 Mn O1 87.94(8) 3_556 . ?
O4 Mn O1 105.60(9) . . ?
O2 Mn O1 89.93(8) 3_556 . ?
O2 Mn O1 80.44(8) . . ?
O1 Mn O1 161.96(12) 3_556 . ?
O4 Mn Li3 135.90(7) 3_556 3_556 ?
O4 Mn Li3 61.00(6) . 3_556 ?
O2 Mn Li3 37.69(5) 3_556 3_556 ?
O2 Mn Li3 128.59(6) . 3_556 ?
O1 Mn Li3 51.54(6) 3_556 3_556 ?
O1 Mn Li3 124.94(6) . 3_556 ?
O4 Mn Li3 61.00(6) 3_556 . ?
O4 Mn Li3 135.90(7) . . ?
O2 Mn Li3 128.59(6) 3_556 . ?
O2 Mn Li3 37.69(5) . . ?
O1 Mn Li3 124.94(6) 3_556 . ?
O1 Mn Li3 51.54(6) . . ?
Li3 Mn Li3 161.94(3) 3_556 . ?
O4 Mn Li2 33.68(12) 3_556 6_657 ?
O4 Mn Li2 104.88(13) . 6_657 ?
O2 Mn Li2 159.67(12) 3_556 6_657 ?
O2 Mn Li2 58.35(12) . 6_657 ?
O1 Mn Li2 80.20(13) 3_556 6_657 ?
O1 Mn Li2 106.95(13) . 6_657 ?
Li3 Mn Li2 128.01(12) 3_556 6_657 ?
Li3 Mn Li2 60.38(12) . 6_657 ?
O4 Mn Li2 104.88(13) 3_556 8 ?
O4 Mn Li2 33.68(12) . 8 ?
O2 Mn Li2 58.35(12) 3_556 8 ?
O2 Mn Li2 159.67(12) . 8 ?
O1 Mn Li2 106.95(13) 3_556 8 ?
O1 Mn Li2 80.20(13) . 8 ?
Li3 Mn Li2 60.38(12) 3_556 8 ?
Li3 Mn Li2 128.01(12) . 8 ?
Li2 Mn Li2 134.5(2) 6_657 8 ?
O4 Mn Cs 138.02(6) 3_556 . ?
O4 Mn Cs 138.02(6) . . ?
O2 Mn Cs 57.75(6) 3_556 . ?
O2 Mn Cs 57.75(6) . . ?
O1 Mn Cs 80.98(6) 3_556 . ?
O1 Mn Cs 80.98(6) . . ?
Li3 Mn Cs 80.968(13) 3_556 . ?
Li3 Mn Cs 80.968(13) . . ?
Li2 Mn Cs 112.77(10) 6_657 . ?
Li2 Mn Cs 112.77(10) 8 . ?
O7 P1 O2 114.49(14) . . ?
O7 P1 O1 113.76(14) . 1_655 ?
O2 P1 O1 111.04(13) . 1_655 ?
O7 P1 O6 104.66(15) . . ?
O2 P1 O6 105.18(9) . . ?
O1 P1 O6 106.80(13) 1_655 . ?
O7 P1 Li2 125.33(17) . 6_657 ?
O2 P1 Li2 73.68(14) . 6_657 ?
O1 P1 Li2 38.29(14) 1_655 6_657 ?
O6 P1 Li2 126.03(18) . 6_657 ?
O7 P1 Li2 35.07(14) . 2_554 ?
O2 P1 Li2 91.45(14) . 2_554 ?
O1 P1 Li2 101.73(14) 1_655 2_554 ?
O6 P1 Li2 138.61(16) . 2_554 ?
Li2 P1 Li2 94.79(17) 6_657 2_554 ?
O7 P1 Cs 88.14(11) . . ?
O2 P1 Cs 67.48(9) . . ?
O1 P1 Cs 154.59(9) 1_655 . ?
O6 P1 Cs 52.61(7) . . ?
Li2 P1 Cs 137.04(12) 6_657 . ?
Li2 P1 Cs 103.67(11) 2_554 . ?
O7 P1 Cs 64.54(10) . 1_655 ?
O2 P1 Cs 146.66(9) . 1_655 ?
O1 P1 Cs 98.06(9) 1_655 1_655 ?
O6 P1 Cs 48.79(7) . 1_655 ?
Li2 P1 Cs 136.28(12) 6_657 1_655 ?
Li2 P1 Cs 98.41(11) 2_554 1_655 ?
Cs P1 Cs 79.24(2) . 1_655 ?
O3 P2 O5 114.34(14) . 4_557 ?
O3 P2 O4 113.62(14) . 8_665 ?
O5 P2 O4 112.58(13) 4_557 8_665 ?
O3 P2 O8 104.39(10) . . ?
O5 P2 O8 103.55(15) 4_557 . ?
O4 P2 O8 107.20(15) 8_665 . ?
O3 P2 Li1 86.11(15) . 4_557 ?
O5 P2 Li1 31.86(15) 4_557 4_557 ?
O4 P2 Li1 141.98(15) 8_665 4_557 ?
O8 P2 Li1 97.97(18) . 4_557 ?
O3 P2 Li1 135.58(14) . 1_655 ?
O5 P2 Li1 33.29(14) 4_557 1_655 ?
O4 P2 Li1 79.46(14) 8_665 1_655 ?
O8 P2 Li1 111.90(13) . 1_655 ?
Li1 P2 Li1 64.70(13) 4_557 1_655 ?
O3 P2 Li2 138.54(15) . 1_655 ?
O5 P2 Li2 81.49(15) 4_557 1_655 ?
O4 P2 Li2 32.11(14) 8_665 1_655 ?
O8 P2 Li2 108.67(14) . 1_655 ?
Li1 P2 Li2 112.80(17) 4_557 1_655 ?
Li1 P2 Li2 48.23(16) 1_655 1_655 ?
O3 P2 Li2 28.54(14) . . ?
O5 P2 Li2 130.96(16) 4_557 . ?
O4 P2 Li2 85.09(15) 8_665 . ?
O8 P2 Li2 114.52(14) . . ?
Li1 P2 Li2 110.05(17) 4_557 . ?
Li1 P2 Li2 133.52(17) 1_655 . ?
Li2 P2 Li2 112.11(19) 1_655 . ?
O3 P2 Cs 59.28(9) . . ?
O5 P2 Cs 96.71(10) 4_557 . ?
O4 P2 Cs 148.83(9) 8_665 . ?
O8 P2 Cs 53.18(7) . . ?
Li1 P2 Cs 69.11(11) 4_557 . ?
Li1 P2 Cs 128.25(11) 1_655 . ?
Li2 P2 Cs 161.03(12) 1_655 . ?
Li2 P2 Cs 83.42(11) . . ?
O3 P2 Cs 139.74(10) . 1_655 ?
O5 P2 Cs 59.38(10) 4_557 1_655 ?
O4 P2 Cs 104.12(10) 8_665 1_655 ?
O8 P2 Cs 48.96(7) . 1_655 ?
Li1 P2 Cs 71.73(12) 4_557 1_655 ?
Li1 P2 Cs 63.46(11) 1_655 1_655 ?
Li2 P2 Cs 81.67(11) 1_655 1_655 ?
Li2 P2 Cs 162.64(12) . 1_655 ?
Cs P2 Cs 81.22(2) . 1_655 ?
P1 O1 Li2 112.7(2) 1_455 6_557 ?
P1 O1 Mn 128.28(13) 1_455 . ?
Li2 O1 Mn 113.5(2) 6_557 . ?
P1 O1 Li3 108.65(12) 1_455 . ?
Li2 O1 Li3 100.8(2) 6_557 . ?
Mn O1 Li3 84.10(8) . . ?
P1 O2 Li3 131.24(14) . . ?
P1 O2 Mn 119.85(12) . . ?
Li3 O2 Mn 98.53(9) . . ?
P1 O2 Cs 89.79(9) . . ?
Li3 O2 Cs 120.27(9) . . ?
Mn O2 Cs 91.16(7) . . ?
P2 O3 Li2 129.3(2) . . ?
P2 O3 Li1 134.2(2) . . ?
Li2 O3 Li1 81.3(3) . . ?
P2 O3 Cs 97.96(11) . . ?
Li2 O3 Cs 122.4(2) . . ?
Li1 O3 Cs 87.3(2) . . ?
P2 O4 Li2 123.4(2) 8_655 8 ?
P2 O4 Mn 125.74(13) 8_655 . ?
Li2 O4 Mn 108.4(2) 8 . ?
P2 O5 Li1 123.3(2) 4_457 . ?
P2 O5 Li1 121.7(2) 4_457 4_557 ?
Li1 O5 Li1 114.0(2) . 4_557 ?
P2 O5 Cs 98.62(11) 4_457 2 ?
Li1 O5 Cs 97.7(2) . 2 ?
Li1 O5 Cs 83.33(19) 4_557 2 ?
P1 O6 P1 125.2(2) . 3_656 ?
P1 O6 Cs 108.96(5) . 1_655 ?
P1 O6 Cs 103.82(5) 3_656 1_655 ?
P1 O6 Cs 103.82(5) . . ?
P1 O6 Cs 108.96(5) 3_656 . ?
Cs O6 Cs 104.49(10) 1_655 . ?
P1 O7 Li1 146.9(2) . 2_554 ?
P1 O7 Li2 119.8(2) . 2_554 ?
Li1 O7 Li2 76.8(2) 2_554 2_554 ?
P1 O7 Cs 93.88(10) . 1_655 ?
Li1 O7 Cs 82.91(18) 2_554 1_655 ?
Li2 O7 Cs 142.93(19) 2_554 1_655 ?
P2 O8 P2 126.5(3) . 3_656 ?
P2 O8 Cs 102.59(5) . . ?
P2 O8 Cs 108.29(5) 3_656 . ?
P2 O8 Cs 108.29(5) . 1_655 ?
P2 O8 Cs 102.59(5) 3_656 1_655 ?
Cs O8 Cs 107.53(12) . 1_655 ?
O5 Li1 O3 107.5(3) . . ?
O5 Li1 O5 110.7(3) . 4_457 ?
O3 Li1 O5 108.7(3) . 4_457 ?
O5 Li1 O7 129.6(3) . 2 ?
O3 Li1 O7 92.8(3) . 2 ?
O5 Li1 O7 105.1(3) 4_457 2 ?
O5 Li1 Li2 153.3(3) . . ?
O3 Li1 Li2 49.2(2) . . ?
O5 Li1 Li2 91.5(3) 4_457 . ?
O7 Li1 Li2 52.3(2) 2 . ?
O5 Li1 P2 24.86(11) . 4_457 ?
O3 Li1 P2 131.3(3) . 4_457 ?
O5 Li1 P2 93.0(2) 4_457 4_457 ?
O7 Li1 P2 123.7(3) 2 4_457 ?
Li2 Li1 P2 174.8(3) . 4_457 ?
O5 Li1 P2 135.0(3) . 1_455 ?
O3 Li1 P2 91.7(2) . 1_455 ?
O5 Li1 P2 25.06(10) 4_457 1_455 ?
O7 Li1 P2 88.1(2) 2 1_455 ?
Li2 Li1 P2 66.46(19) . 1_455 ?
P2 Li1 P2 117.90(19) 4_457 1_455 ?
O5 Li1 Li1 80.8(3) . 4_457 ?
O3 Li1 Li1 132.0(4) . 4_457 ?
O5 Li1 Li1 32.43(8) 4_457 4_457 ?
O7 Li1 Li1 118.6(2) 2 4_457 ?
Li2 Li1 Li1 123.5(3) . 4_457 ?
P2 Li1 Li1 60.7(2) 4_457 4_457 ?
P2 Li1 Li1 57.17(11) 1_455 4_457 ?
O5 Li1 Li1 33.60(18) . 4_557 ?
O3 Li1 Li1 73.90(18) . 4_557 ?
O5 Li1 Li1 124.4(3) 4_457 4_557 ?
O7 Li1 Li1 130.4(3) 2 4_557 ?
Li2 Li1 Li1 121.0(3) . 4_557 ?
P2 Li1 Li1 58.1(2) 4_457 4_557 ?
P2 Li1 Li1 138.5(3) 1_455 4_557 ?
Li1 Li1 Li1 104.4(3) 4_457 4_557 ?
O5 Li1 Cs 82.8(2) . . ?
O3 Li1 Cs 62.30(17) . . ?
O5 Li1 Cs 65.71(17) 4_457 . ?
O7 Li1 Cs 145.6(2) 2 . ?
Li2 Li1 Cs 93.8(2) . . ?
P2 Li1 Cs 90.59(14) 4_457 . ?
P2 Li1 Cs 70.61(12) 1_455 . ?
Li1 Li1 Cs 72.5(2) 4_457 . ?
Li1 Li1 Cs 68.2(2) 4_557 . ?
O5 Li1 Cs 87.3(2) . 2_455 ?
O3 Li1 Cs 159.9(3) . 2_455 ?
O5 Li1 Cs 77.32(18) 4_457 2_455 ?
O7 Li1 Cs 67.17(17) 2 2_455 ?
Li2 Li1 Cs 112.7(2) . 2_455 ?
P2 Li1 Cs 65.71(11) 4_457 2_455 ?
P2 Li1 Cs 86.84(14) 1_455 2_455 ?
Li1 Li1 Cs 62.49(16) 4_457 2_455 ?
Li1 Li1 Cs 119.3(3) 4_557 2_455 ?
Cs Li1 Cs 134.93(16) . 2_455 ?
O5 Li1 Cs 55.49(17) . 2 ?
O3 Li1 Cs 99.0(2) . 2 ?
O5 Li1 Cs 152.1(2) 4_457 2 ?
O7 Li1 Cs 76.36(19) 2 2 ?
Li2 Li1 Cs 109.8(2) . 2 ?
P2 Li1 Cs 65.13(11) 4_457 2 ?
P2 Li1 Cs 161.38(19) 1_455 2 ?
Li1 Li1 Cs 122.0(3) 4_457 2 ?
Li1 Li1 Cs 59.81(16) 4_557 2 ?
Cs Li1 Cs 127.91(15) . 2 ?
Cs Li1 Cs 77.82(11) 2_455 2 ?
O3 Li2 O4 112.5(3) . 8_565 ?
O3 Li2 O1 113.2(3) . 6_667 ?
O4 Li2 O1 120.3(3) 8_565 6_667 ?
O3 Li2 O7 91.8(3) . 2 ?
O4 Li2 O7 97.4(3) 8_565 2 ?
O1 Li2 O7 117.1(3) 6_667 2 ?
O3 Li2 Li1 49.5(2) . . ?
O4 Li2 Li1 89.0(3) 8_565 . ?
O1 Li2 Li1 150.6(3) 6_667 . ?
O7 Li2 Li1 51.0(2) 2 . ?
O3 Li2 P1 142.1(3) . 6_567 ?
O4 Li2 P1 97.2(2) 8_565 6_567 ?
O1 Li2 P1 28.97(11) 6_667 6_567 ?
O7 Li2 P1 107.5(3) 2 6_567 ?
Li1 Li2 P1 158.4(3) . 6_567 ?
O3 Li2 P1 103.4(3) . 2 ?
O4 Li2 P1 112.2(3) 8_565 2 ?
O1 Li2 P1 92.0(2) 6_667 2 ?
O7 Li2 P1 25.14(12) 2 2 ?
Li1 Li2 P1 73.3(2) . 2 ?
P1 Li2 P1 85.21(17) 6_567 2 ?
O3 Li2 P2 91.0(2) . 1_455 ?
O4 Li2 P2 24.52(11) 8_565 1_455 ?
O1 Li2 P2 144.1(3) 6_667 1_455 ?
O7 Li2 P2 86.6(2) 2 1_455 ?
Li1 Li2 P2 65.31(19) . 1_455 ?
P1 Li2 P2 121.58(19) 6_567 1_455 ?
P1 Li2 P2 108.4(2) 2 1_455 ?
O3 Li2 P2 22.16(11) . . ?
O4 Li2 P2 131.2(3) 8_565 . ?
O1 Li2 P2 91.3(2) 6_667 . ?
O7 Li2 P2 99.4(2) 2 . ?
Li1 Li2 P2 67.90(19) . . ?
P1 Li2 P2 120.3(2) 6_567 . ?
P1 Li2 P2 101.75(18) 2 . ?
P2 Li2 P2 112.11(19) 1_455 . ?
O3 Li2 Li3 154.6(3) . 2_455 ?
O4 Li2 Li3 59.80(16) 8_565 2_455 ?
O1 Li2 Li3 89.7(2) 6_667 2_455 ?
O7 Li2 Li3 66.88(19) 2 2_455 ?
Li1 Li2 Li3 105.1(3) . 2_455 ?
P1 Li2 Li3 61.62(11) 6_567 2_455 ?
P1 Li2 Li3 63.16(13) 2 2_455 ?
P2 Li2 Li3 74.65(12) 1_455 2_455 ?
P2 Li2 Li3 164.9(2) . 2_455 ?
O3 Li2 Mn 133.4(3) . 6_567 ?
O4 Li2 Mn 37.96(13) 8_565 6_567 ?
O1 Li2 Mn 82.5(2) 6_667 6_567 ?
O7 Li2 Mn 120.8(2) 2 6_567 ?
Li1 Li2 Mn 126.9(2) . 6_567 ?
P1 Li2 Mn 62.60(11) 6_567 6_567 ?
P1 Li2 Mn 120.32(18) 2 6_567 ?
P2 Li2 Mn 61.74(11) 1_455 6_567 ?
P2 Li2 Mn 137.6(2) . 6_567 ?
Li3 Li2 Mn 57.47(9) 2_455 6_567 ?
O3 Li2 Li3 90.7(2) . 2 ?
O4 Li2 Li3 156.7(3) 8_565 2 ?
O1 Li2 Li3 45.42(14) 6_667 2 ?
O7 Li2 Li3 79.9(2) 2 2 ?
Li1 Li2 Li3 106.3(2) . 2 ?
P1 Li2 Li3 62.31(11) 6_567 2 ?
P1 Li2 Li3 58.20(11) 2 2 ?
P2 Li2 Li3 166.5(2) 1_455 2 ?
P2 Li2 Li3 71.80(12) . 2 ?
Li3 Li2 Li3 98.61(16) 2_455 2 ?
Mn Li2 Li3 124.76(18) 6_567 2 ?
O2 Li3 O2 180.0 . 5_556 ?
O2 Li3 O1 100.76(8) . 5_556 ?
O2 Li3 O1 79.24(8) 5_556 5_556 ?
O2 Li3 O1 79.24(8) . . ?
O2 Li3 O1 100.76(8) 5_556 . ?
O1 Li3 O1 180.0 5_556 . ?
O2 Li3 Mn 136.22(6) . 5_556 ?
O2 Li3 Mn 43.78(6) 5_556 5_556 ?
O1 Li3 Mn 44.35(5) 5_556 5_556 ?
O1 Li3 Mn 135.65(5) . 5_556 ?
O2 Li3 Mn 43.78(6) . . ?
O2 Li3 Mn 136.22(6) 5_556 . ?
O1 Li3 Mn 135.65(5) 5_556 . ?
O1 Li3 Mn 44.35(5) . . ?
Mn Li3 Mn 180.0 5_556 . ?
O2 Li3 Li2 60.59(13) . 6_657 ?
O2 Li3 Li2 119.41(13) 5_556 6_657 ?
O1 Li3 Li2 77.89(13) 5_556 6_657 ?
O1 Li3 Li2 102.11(13) . 6_657 ?
Mn Li3 Li2 117.85(12) 5_556 6_657 ?
Mn Li3 Li2 62.15(12) . 6_657 ?
O2 Li3 Li2 119.41(13) . 2_454 ?
O2 Li3 Li2 60.59(13) 5_556 2_454 ?
O1 Li3 Li2 102.11(13) 5_556 2_454 ?
O1 Li3 Li2 77.89(13) . 2_454 ?
Mn Li3 Li2 62.15(12) 5_556 2_454 ?
Mn Li3 Li2 117.85(12) . 2_454 ?
Li2 Li3 Li2 180.0(2) 6_657 2_454 ?
O2 Li3 Li2 73.40(13) . 2_554 ?
O2 Li3 Li2 106.60(13) 5_556 2_554 ?
O1 Li3 Li2 33.76(12) 5_556 2_554 ?
O1 Li3 Li2 146.24(12) . 2_554 ?
Mn Li3 Li2 63.66(12) 5_556 2_554 ?
Mn Li3 Li2 116.34(12) . 2_554 ?
Li2 Li3 Li2 81.39(17) 6_657 2_554 ?
Li2 Li3 Li2 98.61(17) 2_454 2_554 ?
O2 Li3 Li2 106.60(13) . 6_557 ?
O2 Li3 Li2 73.40(13) 5_556 6_557 ?
O1 Li3 Li2 146.24(12) 5_556 6_557 ?
O1 Li3 Li2 33.76(12) . 6_557 ?
Mn Li3 Li2 116.34(12) 5_556 6_557 ?
Mn Li3 Li2 63.66(12) . 6_557 ?
Li2 Li3 Li2 98.61(17) 6_657 6_557 ?
Li2 Li3 Li2 81.39(17) 2_454 6_557 ?
Li2 Li3 Li2 180.0(2) 2_554 6_557 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.38
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.433
_refine_diff_density_min         -2.317
_refine_diff_density_rms         0.369
