data_varenche_0m
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'As3 Ca2 Mg0.38 Mn3 Na O12 V0.13'
_chemical_formula_weight          700.21
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'O'  'O'   0.0106   0.0060
 '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'
 'Ca'  'Ca'   0.2262   0.3064
 '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'
 'As'  'As'   0.0499   2.0058
 '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'
 'V'  'V'   0.3005   0.5294
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            ?
_symmetry_space_group_name_H-M    ?
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'
 'z, x, y'
 'z+1/2, -x+1/2, -y'
 '-z+1/2, -x, y+1/2'
 '-z, x+1/2, -y+1/2'
 'y, z, x'
 '-y, z+1/2, -x+1/2'
 'y+1/2, -z+1/2, -x'
 '-y+1/2, -z, x+1/2'
 'y+3/4, x+1/4, -z+1/4'
 '-y+3/4, -x+3/4, -z+3/4'
 'y+1/4, -x+1/4, z+3/4'
 '-y+1/4, x+3/4, z+1/4'
 'x+3/4, z+1/4, -y+1/4'
 '-x+1/4, z+3/4, y+1/4'
 '-x+3/4, -z+3/4, -y+3/4'
 'x+1/4, -z+1/4, y+3/4'
 'z+3/4, y+1/4, -x+1/4'
 'z+1/4, -y+1/4, x+3/4'
 '-z+1/4, y+3/4, x+1/4'
 '-z+3/4, -y+3/4, -x+3/4'
 'x+1/2, y+1/2, z+1/2'
 '-x+1, -y+1/2, z+1'
 '-x+1/2, y+1, -z+1'
 'x+1, -y+1, -z+1/2'
 'z+1/2, x+1/2, y+1/2'
 'z+1, -x+1, -y+1/2'
 '-z+1, -x+1/2, y+1'
 '-z+1/2, x+1, -y+1'
 'y+1/2, z+1/2, x+1/2'
 '-y+1/2, z+1, -x+1'
 'y+1, -z+1, -x+1/2'
 '-y+1, -z+1/2, x+1'
 'y+5/4, x+3/4, -z+3/4'
 '-y+5/4, -x+5/4, -z+5/4'
 'y+3/4, -x+3/4, z+5/4'
 '-y+3/4, x+5/4, z+3/4'
 'x+5/4, z+3/4, -y+3/4'
 '-x+3/4, z+5/4, y+3/4'
 '-x+5/4, -z+5/4, -y+5/4'
 'x+3/4, -z+3/4, y+5/4'
 'z+5/4, y+3/4, -x+3/4'
 'z+3/4, -y+3/4, x+5/4'
 '-z+3/4, y+5/4, x+3/4'
 '-z+5/4, -y+5/4, -x+5/4'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 'x, -y-1/2, z-1/2'
 '-x-1/2, y-1/2, z'
 '-z, -x, -y'
 '-z-1/2, x-1/2, y'
 'z-1/2, x, -y-1/2'
 'z, -x-1/2, y-1/2'
 '-y, -z, -x'
 'y, -z-1/2, x-1/2'
 '-y-1/2, z-1/2, x'
 'y-1/2, z, -x-1/2'
 '-y-3/4, -x-1/4, z-1/4'
 'y-3/4, x-3/4, z-3/4'
 '-y-1/4, x-1/4, -z-3/4'
 'y-1/4, -x-3/4, -z-1/4'
 '-x-3/4, -z-1/4, y-1/4'
 'x-1/4, -z-3/4, -y-1/4'
 'x-3/4, z-3/4, y-3/4'
 '-x-1/4, z-1/4, -y-3/4'
 '-z-3/4, -y-1/4, x-1/4'
 '-z-1/4, y-1/4, -x-3/4'
 'z-1/4, -y-3/4, -x-1/4'
 'z-3/4, y-3/4, x-3/4'
 '-x+1/2, -y+1/2, -z+1/2'
 'x, y+1/2, -z'
 'x+1/2, -y, z'
 '-x, y, z+1/2'
 '-z+1/2, -x+1/2, -y+1/2'
 '-z, x, y+1/2'
 'z, x+1/2, -y'
 'z+1/2, -x, y'
 '-y+1/2, -z+1/2, -x+1/2'
 'y+1/2, -z, x'
 '-y, z, x+1/2'
 'y, z+1/2, -x'
 '-y-1/4, -x+1/4, z+1/4'
 'y-1/4, x-1/4, z-1/4'
 '-y+1/4, x+1/4, -z-1/4'
 'y+1/4, -x-1/4, -z+1/4'
 '-x-1/4, -z+1/4, y+1/4'
 'x+1/4, -z-1/4, -y+1/4'
 'x-1/4, z-1/4, y-1/4'
 '-x+1/4, z+1/4, -y-1/4'
 '-z-1/4, -y+1/4, x+1/4'
 '-z+1/4, y+1/4, -x-1/4'
 'z+1/4, -y-1/4, -x+1/4'
 'z-1/4, y-1/4, x-1/4'
 
_cell_length_a                    12.48290(10)
_cell_length_b                    12.48290(10)
_cell_length_c                    12.48290(10)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      1945.12(3)
_cell_formula_units_Z             8
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?
 
_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.08
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.04
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     4.782
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              2627
_exptl_absorpt_coefficient_mu     15.276
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   0.3745
_exptl_absorpt_correction_T_max   0.5801
_exptl_absorpt_process_details    ?
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       296(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   ?
_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             10785
_diffrn_reflns_av_R_equivalents   0.0419
_diffrn_reflns_av_sigmaI/netI     0.0110
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_h_max        20
_diffrn_reflns_limit_k_min        -19
_diffrn_reflns_limit_k_max        19
_diffrn_reflns_limit_l_min        -15
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_theta_min          6.11
_diffrn_reflns_theta_max          36.28
_reflns_number_total              395
_reflns_number_gt                 312
_reflns_threshold_expression      >2\s(I)
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_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^ > 2\s(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^)+(0.0182P)^2^+0.9232P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          395
_refine_ls_number_parameters      19
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0308
_refine_ls_R_factor_gt            0.0188
_refine_ls_wR_factor_ref          0.0429
_refine_ls_wR_factor_gt           0.0396
_refine_ls_goodness_of_fit_ref    1.151
_refine_ls_restrained_S_all       1.151
_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
NaX Na 0.1250 0.0000 0.2500 0.01099(18) Uani 0.33 4 d SP . .
CaX Ca 0.1250 0.0000 0.2500 0.01099(18) Uani 0.67 4 d SP . .
MnY Mn 0.0000 0.0000 0.0000 0.0093(2) Uani 0.777(7) 6 d SP . .
MgY Mg 0.0000 0.0000 0.0000 0.0093(2) Uani 0.223(7) 6 d SP . .
AsT As 0.3750 0.0000 0.2500 0.00675(9) Uani 0.848(8) 4 d SP . .
VT V 0.3750 0.0000 0.2500 0.00675(9) Uani 0.152(8) 4 d SP . .
O O 0.03963(8) 0.05302(8) 0.65865(8) 0.0112(2) 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
NaX 0.0079(3) 0.0125(2) 0.0125(2) 0.0021(2) 0.000 0.000
CaX 0.0079(3) 0.0125(2) 0.0125(2) 0.0021(2) 0.000 0.000
MnY 0.0093(2) 0.0093(2) 0.0093(2) -0.00038(10) -0.00038(10) -0.00038(10)
MgY 0.0093(2) 0.0093(2) 0.0093(2) -0.00038(10) -0.00038(10) -0.00038(10)
AsT 0.00645(14) 0.00690(10) 0.00690(10) 0.000 0.000 0.000
VT 0.00645(14) 0.00690(10) 0.00690(10) 0.000 0.000 0.000
O 0.0114(5) 0.0126(4) 0.0097(4) 0.0008(3) -0.0015(3) 0.0012(3)
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
NaX O 2.4416(10) 90_565 ?
NaX O 2.4416(10) 76_554 ?
NaX O 2.4416(10) 49_556 ?
NaX O 2.4416(10) 67_656 ?
NaX O 2.5431(10) 55_556 ?
NaX O 2.5431(10) 93_655 ?
NaX O 2.5431(10) 80_455 ?
NaX O 2.5431(10) 70_656 ?
NaX AsT 3.1207 . ?
NaX VT 3.1207 50_556 ?
NaX AsT 3.1207 50_556 ?
MnY O 2.1459(9) 36_454 ?
MnY O 2.1459(9) 32_544 ?
MnY O 2.1459(9) 28_445 ?
MnY O 2.1459(9) 84_545 ?
MnY O 2.1459(9) 80_455 ?
MnY O 2.1459(9) 76_554 ?
MnY NaX 3.4891 5 ?
MnY NaX 3.4891 57 ?
MnY CaX 3.4891 49 ?
MnY CaX 3.4891 5 ?
MnY CaX 3.4891 53 ?
MnY CaX 3.4891 9 ?
AsT O 1.6953(9) 27_545 ?
AsT O 1.6953(9) 2_554 ?
AsT O 1.6953(9) 90_565 ?
AsT O 1.6953(9) 67_656 ?
AsT CaX 3.1207 50_656 ?
AsT NaX 3.1207 50_656 ?
O VT 1.6953(9) 2 ?
O AsT 1.6953(9) 2 ?
O MgY 2.1459(9) 28_445 ?
O MnY 2.1459(9) 28_445 ?
O NaX 2.4416(10) 49_556 ?
O CaX 2.4416(10) 49_556 ?
O CaX 2.5431(10) 58_566 ?
O NaX 2.5431(10) 58_566 ?
 
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
O NaX O 117.08(4) 90_565 76_554 ?
O NaX O 164.07(4) 90_565 49_556 ?
O NaX O 65.37(4) 76_554 49_556 ?
O NaX O 65.37(4) 90_565 67_656 ?
O NaX O 164.07(4) 76_554 67_656 ?
O NaX O 117.08(4) 49_556 67_656 ?
O NaX O 91.85(3) 90_565 55_556 ?
O NaX O 122.538(19) 76_554 55_556 ?
O NaX O 74.94(4) 49_556 55_556 ?
O NaX O 71.92(4) 67_656 55_556 ?
O NaX O 74.94(4) 90_565 93_655 ?
O NaX O 71.92(4) 76_554 93_655 ?
O NaX O 91.85(3) 49_556 93_655 ?
O NaX O 122.54(2) 67_656 93_655 ?
O NaX O 69.58(4) 55_556 93_655 ?
O NaX O 71.92(4) 90_565 80_455 ?
O NaX O 74.94(4) 76_554 80_455 ?
O NaX O 122.54(2) 49_556 80_455 ?
O NaX O 91.85(3) 67_656 80_455 ?
O NaX O 160.99(4) 55_556 80_455 ?
O NaX O 113.79(4) 93_655 80_455 ?
O NaX O 122.538(19) 90_565 70_656 ?
O NaX O 91.85(3) 76_554 70_656 ?
O NaX O 71.92(4) 49_556 70_656 ?
O NaX O 74.94(4) 67_656 70_656 ?
O NaX O 113.79(4) 55_556 70_656 ?
O NaX O 160.99(4) 93_655 70_656 ?
O NaX O 69.58(4) 80_455 70_656 ?
O NaX AsT 32.68(2) 90_565 . ?
O NaX AsT 147.32(2) 76_554 . ?
O NaX AsT 147.32(2) 49_556 . ?
O NaX AsT 32.68(2) 67_656 . ?
O NaX AsT 80.49(2) 55_556 . ?
O NaX AsT 99.51(2) 93_655 . ?
O NaX AsT 80.49(2) 80_455 . ?
O NaX AsT 99.51(2) 70_656 . ?
O NaX VT 147.32(2) 90_565 50_556 ?
O NaX VT 32.68(2) 76_554 50_556 ?
O NaX VT 32.68(2) 49_556 50_556 ?
O NaX VT 147.32(2) 67_656 50_556 ?
O NaX VT 99.51(2) 55_556 50_556 ?
O NaX VT 80.49(2) 93_655 50_556 ?
O NaX VT 99.51(2) 80_455 50_556 ?
O NaX VT 80.49(2) 70_656 50_556 ?
AsT NaX VT 180.0 . 50_556 ?
O NaX AsT 147.32(2) 90_565 50_556 ?
O NaX AsT 32.68(2) 76_554 50_556 ?
O NaX AsT 32.68(2) 49_556 50_556 ?
O NaX AsT 147.32(2) 67_656 50_556 ?
O NaX AsT 99.51(2) 55_556 50_556 ?
O NaX AsT 80.49(2) 93_655 50_556 ?
O NaX AsT 99.51(2) 80_455 50_556 ?
O NaX AsT 80.49(2) 70_656 50_556 ?
AsT NaX AsT 180.0 . 50_556 ?
VT NaX AsT 0.0 50_556 50_556 ?
O MnY O 89.95(4) 36_454 32_544 ?
O MnY O 89.95(4) 36_454 28_445 ?
O MnY O 89.95(4) 32_544 28_445 ?
O MnY O 180.00(7) 36_454 84_545 ?
O MnY O 90.05(4) 32_544 84_545 ?
O MnY O 90.05(4) 28_445 84_545 ?
O MnY O 90.05(4) 36_454 80_455 ?
O MnY O 180.00(7) 32_544 80_455 ?
O MnY O 90.05(4) 28_445 80_455 ?
O MnY O 89.95(4) 84_545 80_455 ?
O MnY O 90.05(4) 36_454 76_554 ?
O MnY O 90.05(4) 32_544 76_554 ?
O MnY O 180.00(7) 28_445 76_554 ?
O MnY O 89.95(4) 84_545 76_554 ?
O MnY O 89.95(4) 80_455 76_554 ?
O MnY NaX 133.52(3) 36_454 5 ?
O MnY NaX 136.25(3) 32_544 5 ?
O MnY NaX 86.09(3) 28_445 5 ?
O MnY NaX 46.48(3) 84_545 5 ?
O MnY NaX 43.75(3) 80_455 5 ?
O MnY NaX 93.91(3) 76_554 5 ?
O MnY NaX 43.75(3) 36_454 57 ?
O MnY NaX 93.91(3) 32_544 57 ?
O MnY NaX 46.48(3) 28_445 57 ?
O MnY NaX 136.25(3) 84_545 57 ?
O MnY NaX 86.09(3) 80_455 57 ?
O MnY NaX 133.52(3) 76_554 57 ?
NaX MnY NaX 113.6 5 57 ?
O MnY CaX 93.91(3) 36_454 49 ?
O MnY CaX 46.48(3) 32_544 49 ?
O MnY CaX 43.75(3) 28_445 49 ?
O MnY CaX 86.09(3) 84_545 49 ?
O MnY CaX 133.52(3) 80_455 49 ?
O MnY CaX 136.25(3) 76_554 49 ?
NaX MnY CaX 113.6 5 49 ?
NaX MnY CaX 66.4 57 49 ?
O MnY CaX 133.52(3) 36_454 5 ?
O MnY CaX 136.25(3) 32_544 5 ?
O MnY CaX 86.09(3) 28_445 5 ?
O MnY CaX 46.48(3) 84_545 5 ?
O MnY CaX 43.75(3) 80_455 5 ?
O MnY CaX 93.91(3) 76_554 5 ?
NaX MnY CaX 0.0 5 5 ?
NaX MnY CaX 113.6 57 5 ?
CaX MnY CaX 113.6 49 5 ?
O MnY CaX 46.48(3) 36_454 53 ?
O MnY CaX 43.75(3) 32_544 53 ?
O MnY CaX 93.91(3) 28_445 53 ?
O MnY CaX 133.52(3) 84_545 53 ?
O MnY CaX 136.25(3) 80_455 53 ?
O MnY CaX 86.09(3) 76_554 53 ?
NaX MnY CaX 180.0 5 53 ?
NaX MnY CaX 66.4 57 53 ?
CaX MnY CaX 66.4 49 53 ?
CaX MnY CaX 180.0 5 53 ?
O MnY CaX 136.25(3) 36_454 9 ?
O MnY CaX 86.09(3) 32_544 9 ?
O MnY CaX 133.52(3) 28_445 9 ?
O MnY CaX 43.75(3) 84_545 9 ?
O MnY CaX 93.91(3) 80_455 9 ?
O MnY CaX 46.48(3) 76_554 9 ?
NaX MnY CaX 66.4 5 9 ?
NaX MnY CaX 180.0 57 9 ?
CaX MnY CaX 113.6 49 9 ?
CaX MnY CaX 66.4 5 9 ?
CaX MnY CaX 113.6 53 9 ?
O AsT O 102.10(7) 27_545 2_554 ?
O AsT O 113.28(4) 27_545 90_565 ?
O AsT O 113.28(4) 2_554 90_565 ?
O AsT O 113.28(4) 27_545 67_656 ?
O AsT O 113.28(4) 2_554 67_656 ?
O AsT O 102.10(7) 90_565 67_656 ?
O AsT CaX 51.05(3) 27_545 50_656 ?
O AsT CaX 51.05(3) 2_554 50_656 ?
O AsT CaX 128.95(3) 90_565 50_656 ?
O AsT CaX 128.95(3) 67_656 50_656 ?
O AsT NaX 128.95(3) 27_545 . ?
O AsT NaX 128.95(3) 2_554 . ?
O AsT NaX 51.05(3) 90_565 . ?
O AsT NaX 51.05(3) 67_656 . ?
CaX AsT NaX 180.0 50_656 . ?
O AsT NaX 51.05(3) 27_545 50_656 ?
O AsT NaX 51.05(3) 2_554 50_656 ?
O AsT NaX 128.95(3) 90_565 50_656 ?
O AsT NaX 128.95(3) 67_656 50_656 ?
CaX AsT NaX 0.0 50_656 50_656 ?
NaX AsT NaX 180.0 . 50_656 ?
VT O AsT 0.0 2 2 ?
VT O MgY 130.18(5) 2 28_445 ?
AsT O MgY 130.18(5) 2 28_445 ?
VT O MnY 130.18(5) 2 28_445 ?
AsT O MnY 130.18(5) 2 28_445 ?
MgY O MnY 0.0 28_445 28_445 ?
VT O NaX 96.26(4) 2 49_556 ?
AsT O NaX 96.26(4) 2 49_556 ?
MgY O NaX 98.82(4) 28_445 49_556 ?
MnY O NaX 98.82(4) 28_445 49_556 ?
VT O CaX 96.26(4) 2 49_556 ?
AsT O CaX 96.26(4) 2 49_556 ?
MgY O CaX 98.82(4) 28_445 49_556 ?
MnY O CaX 98.82(4) 28_445 49_556 ?
NaX O CaX 0.0 49_556 49_556 ?
VT O CaX 127.65(5) 2 58_566 ?
AsT O CaX 127.65(5) 2 58_566 ?
MgY O CaX 95.79(3) 28_445 58_566 ?
MnY O CaX 95.79(3) 28_445 58_566 ?
NaX O CaX 100.11(3) 49_556 58_566 ?
CaX O CaX 100.11(3) 49_556 58_566 ?
VT O NaX 127.65(5) 2 58_566 ?
AsT O NaX 127.65(5) 2 58_566 ?
MgY O NaX 95.79(3) 28_445 58_566 ?
MnY O NaX 95.79(3) 28_445 58_566 ?
NaX O NaX 100.11(3) 49_556 58_566 ?
CaX O NaX 100.11(3) 49_556 58_566 ?
CaX O NaX 0.0 58_566 58_566 ?
 
_diffrn_measured_fraction_theta_max    0.992
_diffrn_reflns_theta_full              36.28
_diffrn_measured_fraction_theta_full   0.992
_refine_diff_density_max    0.327
_refine_diff_density_min   -0.630
_refine_diff_density_rms    0.096