# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1436549'
_audit_update_record             
;
2015-11-12 deposited with the CCDC.
2018-02-26 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97
_chemical_name_systematic        CsNaMgP2O7
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs Mg Na O7 P2'
_chemical_formula_weight         354.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c 21'

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

_cell_length_a                   5.2361(3)
_cell_length_b                   14.9642(9)
_cell_length_c                   9.7002(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     760.05(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             656
_exptl_absorpt_coefficient_mu    5.425
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.527
_exptl_absorpt_correction_T_max  0.762
_exptl_absorpt_process_details   multi-scan

_exptl_special_details           
; 
 CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.  
;

_diffrn_ambient_temperature      298(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  'SuperNova, Dual, Cu at zero, Atlas'
_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            1417
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         3.44
_diffrn_reflns_theta_max         26.37
_reflns_number_total             730
_reflns_number_gt                703
_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)+(0.0470P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(4)
_refine_ls_number_reflns         730
_refine_ls_number_parameters     67
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0828
_refine_ls_wR_factor_gt          0.0807
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.040
_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
Cs1 Cs 0.0000 0.40553(4) 0.84821(5) 0.0227(2) Uani 1 2 d S . .
P2 P 0.0000 0.06013(19) 0.7207(3) 0.0110(6) Uani 1 2 d S . .
P1 P 0.0000 0.22098(19) 0.5654(3) 0.0122(6) Uani 1 2 d S . .
Na1 Na 0.5000 0.3587(3) 0.5163(4) 0.0248(11) Uani 1 2 d S . .
O4 O 0.2360(11) 0.0920(4) 0.7968(7) 0.0225(14) Uani 1 1 d . . .
O5 O 0.0000 0.1129(5) 0.5735(8) 0.0169(17) Uani 1 2 d S . .
O2 O 0.0000 -0.0359(5) 0.6843(9) 0.0232(19) Uani 1 2 d S . .
O1 O 0.2394(15) 0.2525(5) 0.6329(8) 0.044(2) Uani 1 1 d . . .
Mg1 Mg 0.5000 0.1863(3) 0.7540(3) 0.0116(7) Uani 1 2 d S . .
O3 O 0.0000 0.2404(7) 0.4162(10) 0.055(4) Uani 1 2 d S . .


_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
Cs1 O4 3.154(6) 7 ?
Cs1 O4 3.154(6) 5_455 ?
Cs1 O2 3.186(5) 5_455 ?
Cs1 O2 3.186(5) 5 ?
Cs1 O1 3.343(9) 3 ?
Cs1 O1 3.343(9) . ?
Cs1 O5 3.422(5) 6 ?
Cs1 O5 3.422(5) 6_455 ?
Cs1 O3 3.473(7) 6_455 ?
Cs1 O3 3.473(7) 6 ?
Cs1 P2 3.706(2) 5 ?
Cs1 P2 3.706(2) 5_455 ?
P2 O2 1.479(8) . ?
P2 O4 1.516(6) . ?
P2 O4 1.516(6) 3 ?
P2 O5 1.631(8) . ?
P2 Na1 3.115(5) 6 ?
P2 Cs1 3.706(2) 5_445 ?
P2 Cs1 3.706(2) 5_545 ?
P1 O3 1.476(10) . ?
P1 O1 1.491(7) . ?
P1 O1 1.491(7) 3 ?
P1 O5 1.619(8) . ?
P1 Na1 3.365(3) . ?
P1 Na1 3.365(3) 1_455 ?
P1 Cs1 3.857(2) 6_454 ?
P1 Cs1 3.857(2) 6_554 ?
Na1 O2 2.269(9) 5 ?
Na1 O1 2.380(9) . ?
Na1 O1 2.380(9) 3_655 ?
Na1 O4 2.570(7) 6_554 ?
Na1 O4 2.570(7) 8_554 ?
Na1 P2 3.115(5) 6_554 ?
Na1 P1 3.365(3) 1_655 ?
Na1 Mg1 3.460(5) . ?
Na1 Mg1 3.712(4) 6_554 ?
Na1 Mg1 3.712(4) 6_654 ?
Na1 Cs1 4.208(3) 1_655 ?
O4 Mg1 2.019(6) . ?
O4 Na1 2.570(7) 6 ?
O4 Cs1 3.154(6) 5_545 ?
O5 Cs1 3.422(5) 6_454 ?
O5 Cs1 3.422(5) 6_554 ?
O2 Na1 2.269(9) 5_445 ?
O2 Cs1 3.186(5) 5_545 ?
O2 Cs1 3.186(5) 5_445 ?
O1 Mg1 2.055(7) . ?
Mg1 O3 1.918(10) 6 ?
Mg1 O4 2.019(6) 3_655 ?
Mg1 O1 2.055(7) 3_655 ?
Mg1 Na1 3.712(4) 6_655 ?
Mg1 Na1 3.712(4) 6 ?
Mg1 Cs1 4.170(3) 6_554 ?
Mg1 Cs1 4.295(3) 1_655 ?
Mg1 Cs1 4.300(4) 5_545 ?
O3 Mg1 1.918(10) 6_554 ?
O3 Cs1 3.473(7) 6_454 ?
O3 Cs1 3.473(7) 6_554 ?

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
O4 Cs1 O4 52.0(2) 7 5_455 ?
O4 Cs1 O2 92.17(17) 7 5_455 ?
O4 Cs1 O2 46.95(17) 5_455 5_455 ?
O4 Cs1 O2 46.95(17) 7 5 ?
O4 Cs1 O2 92.17(17) 5_455 5 ?
O2 Cs1 O2 110.5(3) 5_455 5 ?
O4 Cs1 O1 132.19(18) 7 3 ?
O4 Cs1 O1 110.05(18) 5_455 3 ?
O2 Cs1 O1 64.44(19) 5_455 3 ?
O2 Cs1 O1 100.66(18) 5 3 ?
O4 Cs1 O1 110.05(18) 7 . ?
O4 Cs1 O1 132.19(18) 5_455 . ?
O2 Cs1 O1 100.66(18) 5_455 . ?
O2 Cs1 O1 64.44(19) 5 . ?
O1 Cs1 O1 44.1(2) 3 . ?
O4 Cs1 O5 80.62(17) 7 6 ?
O4 Cs1 O5 120.52(17) 5_455 6 ?
O2 Cs1 O5 165.86(19) 5_455 6 ?
O2 Cs1 O5 73.27(15) 5 6 ?
O1 Cs1 O5 129.11(18) 3 6 ?
O1 Cs1 O5 93.26(16) . 6 ?
O4 Cs1 O5 120.52(16) 7 6_455 ?
O4 Cs1 O5 80.62(17) 5_455 6_455 ?
O2 Cs1 O5 73.27(15) 5_455 6_455 ?
O2 Cs1 O5 165.86(19) 5 6_455 ?
O1 Cs1 O5 93.26(16) 3 6_455 ?
O1 Cs1 O5 129.11(18) . 6_455 ?
O5 Cs1 O5 99.84(19) 6 6_455 ?
O4 Cs1 O3 156.49(16) 7 6_455 ?
O4 Cs1 O3 104.83(16) 5_455 6_455 ?
O2 Cs1 O3 69.41(19) 5_455 6_455 ?
O2 Cs1 O3 152.6(2) 5 6_455 ?
O1 Cs1 O3 53.50(19) 3 6_455 ?
O1 Cs1 O3 88.32(19) . 6_455 ?
O5 Cs1 O3 113.87(19) 6 6_455 ?
O5 Cs1 O3 41.5(2) 6_455 6_455 ?
O4 Cs1 O3 104.83(16) 7 6 ?
O4 Cs1 O3 156.49(16) 5_455 6 ?
O2 Cs1 O3 152.6(2) 5_455 6 ?
O2 Cs1 O3 69.41(19) 5 6 ?
O1 Cs1 O3 88.32(19) 3 6 ?
O1 Cs1 O3 53.50(19) . 6 ?
O5 Cs1 O3 41.50(19) 6 6 ?
O5 Cs1 O3 113.87(19) 6_455 6 ?
O3 Cs1 O3 97.9(3) 6_455 6 ?
O4 Cs1 P2 23.84(11) 7 5 ?
O4 Cs1 P2 72.82(11) 5_455 5 ?
O2 Cs1 P2 104.01(13) 5_455 5 ?
O2 Cs1 P2 23.25(14) 5 5 ?
O1 Cs1 P2 118.94(12) 3 5 ?
O1 Cs1 P2 87.37(14) . 5 ?
O5 Cs1 P2 73.93(12) 6 5 ?
O5 Cs1 P2 143.52(14) 6_455 5 ?
O3 Cs1 P2 171.31(16) 6_455 5 ?
O3 Cs1 P2 85.61(14) 6 5 ?
O4 Cs1 P2 72.82(11) 7 5_455 ?
O4 Cs1 P2 23.84(11) 5_455 5_455 ?
O2 Cs1 P2 23.25(14) 5_455 5_455 ?
O2 Cs1 P2 104.01(13) 5 5_455 ?
O1 Cs1 P2 87.37(14) 3 5_455 ?
O1 Cs1 P2 118.94(12) . 5_455 ?
O5 Cs1 P2 143.52(14) 6 5_455 ?
O5 Cs1 P2 73.93(11) 6_455 5_455 ?
O3 Cs1 P2 85.61(14) 6_455 5_455 ?
O3 Cs1 P2 171.31(16) 6 5_455 ?
P2 Cs1 P2 89.88(6) 5 5_455 ?
O2 P2 O4 114.9(3) . . ?
O2 P2 O4 114.9(3) . 3 ?
O4 P2 O4 109.1(5) . 3 ?
O2 P2 O5 105.2(5) . . ?
O4 P2 O5 105.9(3) . . ?
O4 P2 O5 105.9(3) 3 . ?
O2 P2 Na1 126.7(4) . 6 ?
O4 P2 Na1 55.2(3) . 6 ?
O4 P2 Na1 55.2(3) 3 6 ?
O5 P2 Na1 128.1(3) . 6 ?
O2 P2 Cs1 58.21(19) . 5_445 ?
O4 P2 Cs1 127.5(3) . 5_445 ?
O4 P2 Cs1 57.2(2) 3 5_445 ?
O5 P2 Cs1 126.47(15) . 5_445 ?
Na1 P2 Cs1 86.34(8) 6 5_445 ?
O2 P2 Cs1 58.21(19) . 5_545 ?
O4 P2 Cs1 57.2(2) . 5_545 ?
O4 P2 Cs1 127.5(3) 3 5_545 ?
O5 P2 Cs1 126.47(15) . 5_545 ?
Na1 P2 Cs1 86.34(8) 6 5_545 ?
Cs1 P2 Cs1 89.88(6) 5_445 5_545 ?
O3 P1 O1 111.6(4) . . ?
O3 P1 O1 111.6(4) . 3 ?
O1 P1 O1 114.5(7) . 3 ?
O3 P1 O5 104.2(5) . . ?
O1 P1 O5 107.1(4) . . ?
O1 P1 O5 107.1(4) 3 . ?
O3 P1 Na1 75.0(3) . . ?
O1 P1 Na1 38.2(3) . . ?
O1 P1 Na1 121.5(4) 3 . ?
O5 P1 Na1 128.20(9) . . ?
O3 P1 Na1 75.0(3) . 1_455 ?
O1 P1 Na1 121.5(4) . 1_455 ?
O1 P1 Na1 38.2(3) 3 1_455 ?
O5 P1 Na1 128.20(8) . 1_455 ?
Na1 P1 Na1 102.14(14) . 1_455 ?
O3 P1 Cs1 64.0(3) . 6_454 ?
O1 P1 Cs1 165.0(4) . 6_454 ?
O1 P1 Cs1 79.9(3) 3 6_454 ?
O5 P1 Cs1 62.38(18) . 6_454 ?
Na1 P1 Cs1 138.70(11) . 6_454 ?
Na1 P1 Cs1 72.25(7) 1_455 6_454 ?
O3 P1 Cs1 64.0(3) . 6_554 ?
O1 P1 Cs1 79.9(3) . 6_554 ?
O1 P1 Cs1 165.0(4) 3 6_554 ?
O5 P1 Cs1 62.38(18) . 6_554 ?
Na1 P1 Cs1 72.25(7) . 6_554 ?
Na1 P1 Cs1 138.70(11) 1_455 6_554 ?
Cs1 P1 Cs1 85.50(6) 6_454 6_554 ?
O3 P1 Cs1 123.4(4) . . ?
O1 P1 Cs1 57.7(4) . . ?
O1 P1 Cs1 57.7(4) 3 . ?
O5 P1 Cs1 132.4(3) . . ?
Na1 P1 Cs1 70.45(9) . . ?
Na1 P1 Cs1 70.45(9) 1_455 . ?
Cs1 P1 Cs1 137.15(3) 6_454 . ?
Cs1 P1 Cs1 137.15(3) 6_554 . ?
O2 Na1 O1 97.1(3) 5 . ?
O2 Na1 O1 97.1(3) 5 3_655 ?
O1 Na1 O1 70.0(4) . 3_655 ?
O2 Na1 O4 113.3(3) 5 6_554 ?
O1 Na1 O4 108.0(2) . 6_554 ?
O1 Na1 O4 149.4(3) 3_655 6_554 ?
O2 Na1 O4 113.3(3) 5 8_554 ?
O1 Na1 O4 149.4(3) . 8_554 ?
O1 Na1 O4 108.0(2) 3_655 8_554 ?
O4 Na1 O4 57.5(3) 6_554 8_554 ?
O2 Na1 P2 113.0(3) 5 6_554 ?
O1 Na1 P2 134.3(2) . 6_554 ?
O1 Na1 P2 134.3(2) 3_655 6_554 ?
O4 Na1 P2 28.97(13) 6_554 6_554 ?
O4 Na1 P2 28.97(13) 8_554 6_554 ?
O2 Na1 P1 108.92(16) 5 . ?
O1 Na1 P1 22.80(16) . . ?
O1 Na1 P1 88.3(2) 3_655 . ?
O4 Na1 P1 85.36(14) 6_554 . ?
O4 Na1 P1 131.8(2) 8_554 . ?
P2 Na1 P1 111.66(11) 6_554 . ?
O2 Na1 P1 108.92(16) 5 1_655 ?
O1 Na1 P1 88.3(2) . 1_655 ?
O1 Na1 P1 22.80(16) 3_655 1_655 ?
O4 Na1 P1 131.8(2) 6_554 1_655 ?
O4 Na1 P1 85.36(14) 8_554 1_655 ?
P2 Na1 P1 111.66(11) 6_554 1_655 ?
P1 Na1 P1 102.14(14) . 1_655 ?
O2 Na1 Mg1 92.3(3) 5 . ?
O1 Na1 Mg1 35.48(18) . . ?
O1 Na1 Mg1 35.48(18) 3_655 . ?
O4 Na1 Mg1 140.02(17) 6_554 . ?
O4 Na1 Mg1 140.02(17) 8_554 . ?
P2 Na1 Mg1 154.76(17) 6_554 . ?
P1 Na1 Mg1 56.58(8) . . ?
P1 Na1 Mg1 56.58(8) 1_655 . ?
O2 Na1 Mg1 128.21(14) 5 6_554 ?
O1 Na1 Mg1 78.48(17) . 6_554 ?
O1 Na1 Mg1 127.5(3) 3_655 6_554 ?
O4 Na1 Mg1 31.26(13) 6_554 6_554 ?
O4 Na1 Mg1 79.83(17) 8_554 6_554 ?
P2 Na1 Mg1 55.92(8) 6_554 6_554 ?
P1 Na1 Mg1 55.76(8) . 6_554 ?
P1 Na1 Mg1 122.32(15) 1_655 6_554 ?
Mg1 Na1 Mg1 108.76(10) . 6_554 ?
O2 Na1 Mg1 128.21(14) 5 6_654 ?
O1 Na1 Mg1 127.5(3) . 6_654 ?
O1 Na1 Mg1 78.48(17) 3_655 6_654 ?
O4 Na1 Mg1 79.83(17) 6_554 6_654 ?
O4 Na1 Mg1 31.26(13) 8_554 6_654 ?
P2 Na1 Mg1 55.92(8) 6_554 6_654 ?
P1 Na1 Mg1 122.32(15) . 6_654 ?
P1 Na1 Mg1 55.76(8) 1_655 6_654 ?
Mg1 Na1 Mg1 108.76(10) . 6_654 ?
Mg1 Na1 Mg1 89.70(11) 6_554 6_654 ?
O2 Na1 Cs1 48.28(13) 5 1_655 ?
O1 Na1 Cs1 96.0(2) . 1_655 ?
O1 Na1 Cs1 52.5(2) 3_655 1_655 ?
O4 Na1 Cs1 152.25(19) 6_554 1_655 ?
O4 Na1 Cs1 106.67(14) 8_554 1_655 ?
P2 Na1 Cs1 129.75(9) 6_554 1_655 ?
P1 Na1 Cs1 118.54(12) . 1_655 ?
P1 Na1 Cs1 60.65(6) 1_655 1_655 ?
Mg1 Na1 Cs1 67.31(8) . 1_655 ?
Mg1 Na1 Cs1 173.34(9) 6_554 1_655 ?
Mg1 Na1 Cs1 96.65(4) 6_654 1_655 ?
P2 O4 Mg1 132.7(4) . . ?
P2 O4 Na1 95.9(3) . 6 ?
Mg1 O4 Na1 107.4(3) . 6 ?
P2 O4 Cs1 99.0(2) . 5_545 ?
Mg1 O4 Cs1 110.5(2) . 5_545 ?
Na1 O4 Cs1 109.5(2) 6 5_545 ?
P1 O5 P2 121.8(5) . . ?
P1 O5 Cs1 92.8(2) . 6_454 ?
P2 O5 Cs1 121.32(19) . 6_454 ?
P1 O5 Cs1 92.8(2) . 6_554 ?
P2 O5 Cs1 121.32(19) . 6_554 ?
Cs1 O5 Cs1 99.84(19) 6_454 6_554 ?
P2 O2 Na1 147.8(5) . 5_445 ?
P2 O2 Cs1 98.5(2) . 5_545 ?
Na1 O2 Cs1 99.6(2) 5_445 5_545 ?
P2 O2 Cs1 98.5(2) . 5_445 ?
Na1 O2 Cs1 99.6(2) 5_445 5_445 ?
Cs1 O2 Cs1 110.5(3) 5_545 5_445 ?
P1 O1 Mg1 131.0(5) . . ?
P1 O1 Na1 119.0(4) . . ?
Mg1 O1 Na1 102.3(3) . . ?
P1 O1 Cs1 100.1(4) . . ?
Mg1 O1 Cs1 102.8(3) . . ?
Na1 O1 Cs1 93.1(3) . . ?
O3 Mg1 O4 103.4(3) 6 . ?
O3 Mg1 O4 103.4(3) 6 3_655 ?
O4 Mg1 O4 86.4(4) . 3_655 ?
O3 Mg1 O1 101.2(4) 6 3_655 ?
O4 Mg1 O1 155.4(3) . 3_655 ?
O4 Mg1 O1 90.0(2) 3_655 3_655 ?
O3 Mg1 O1 101.2(3) 6 . ?
O4 Mg1 O1 90.0(2) . . ?
O4 Mg1 O1 155.4(3) 3_655 . ?
O1 Mg1 O1 83.2(5) 3_655 . ?
O3 Mg1 Na1 96.9(4) 6 . ?
O4 Mg1 Na1 131.16(19) . . ?
O4 Mg1 Na1 131.16(19) 3_655 . ?
O1 Mg1 Na1 42.2(2) 3_655 . ?
O1 Mg1 Na1 42.2(2) . . ?
O3 Mg1 Na1 62.7(2) 6 6_655 ?
O4 Mg1 Na1 102.4(2) . 6_655 ?
O4 Mg1 Na1 41.4(2) 3_655 6_655 ?
O1 Mg1 Na1 90.6(2) 3_655 6_655 ?
O1 Mg1 Na1 161.3(3) . 6_655 ?
Na1 Mg1 Na1 126.30(8) . 6_655 ?
O3 Mg1 Na1 62.7(2) 6 6 ?
O4 Mg1 Na1 41.4(2) . 6 ?
O4 Mg1 Na1 102.4(2) 3_655 6 ?
O1 Mg1 Na1 161.3(3) 3_655 6 ?
O1 Mg1 Na1 90.6(2) . 6 ?
Na1 Mg1 Na1 126.30(8) . 6 ?
Na1 Mg1 Na1 89.70(11) 6_655 6 ?
O3 Mg1 Cs1 164.4(4) 6 6_554 ?
O4 Mg1 Cs1 87.9(2) . 6_554 ?
O4 Mg1 Cs1 87.9(2) 3_655 6_554 ?
O1 Mg1 Cs1 67.6(2) 3_655 6_554 ?
O1 Mg1 Cs1 67.6(2) . 6_554 ?
Na1 Mg1 Cs1 67.45(9) . 6_554 ?
Na1 Mg1 Cs1 125.97(8) 6_655 6_554 ?
Na1 Mg1 Cs1 125.97(9) 6 6_554 ?
O3 Mg1 Cs1 52.3(2) 6 1_655 ?
O4 Mg1 Cs1 155.2(2) . 1_655 ?
O4 Mg1 Cs1 94.18(17) 3_655 1_655 ?
O1 Mg1 Cs1 49.4(2) 3_655 1_655 ?
O1 Mg1 Cs1 99.1(2) . 1_655 ?
Na1 Mg1 Cs1 64.68(8) . 1_655 ?
Na1 Mg1 Cs1 64.08(8) 6_655 1_655 ?
Na1 Mg1 Cs1 115.00(11) 6 1_655 ?
Cs1 Mg1 Cs1 116.90(7) 6_554 1_655 ?
O3 Mg1 Cs1 52.3(2) 6 . ?
O4 Mg1 Cs1 94.18(17) . . ?
O4 Mg1 Cs1 155.2(2) 3_655 . ?
O1 Mg1 Cs1 99.1(2) 3_655 . ?
O1 Mg1 Cs1 49.4(2) . . ?
Na1 Mg1 Cs1 64.68(8) . . ?
Na1 Mg1 Cs1 115.00(11) 6_655 . ?
Na1 Mg1 Cs1 64.08(8) 6 . ?
Cs1 Mg1 Cs1 116.90(7) 6_554 . ?
Cs1 Mg1 Cs1 75.11(6) 1_655 . ?
O3 Mg1 Cs1 112.6(3) 6 5_545 ?
O4 Mg1 Cs1 43.38(18) . 5_545 ?
O4 Mg1 Cs1 43.38(18) 3_655 5_545 ?
O1 Mg1 Cs1 126.3(2) 3_655 5_545 ?
O1 Mg1 Cs1 126.3(2) . 5_545 ?
Na1 Mg1 Cs1 150.47(12) . 5_545 ?
Na1 Mg1 Cs1 71.17(9) 6_655 5_545 ?
Na1 Mg1 Cs1 71.17(9) 6 5_545 ?
Cs1 Mg1 Cs1 83.02(7) 6_554 5_545 ?
Cs1 Mg1 Cs1 134.52(5) 1_655 5_545 ?
Cs1 Mg1 Cs1 134.52(5) . 5_545 ?
P1 O3 Mg1 156.5(7) . 6_554 ?
P1 O3 Cs1 93.6(3) . 6_454 ?
Mg1 O3 Cs1 101.8(3) 6_554 6_454 ?
P1 O3 Cs1 93.6(3) . 6_554 ?
Mg1 O3 Cs1 101.8(3) 6_554 6_554 ?
Cs1 O3 Cs1 97.9(3) 6_454 6_554 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.457
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.179
_exptl_crystal_recrystallization_method 'From the Melt'
