# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2253657'
loop_
_audit_author_name
_audit_author_address
'Olga Yakubovich'
;Lomonosov Moscow State University
Russia
;
_audit_update_record             
;
2023-04-03 deposited with the CCDC.	2023-06-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        'trisodium vanadyl phosphate carbonate'
_chemical_name_common            'sodium vanadyl phosphate carbonate'
_chemical_melting_point          ?
_chemical_formula_moiety         'C O8 P V, 3(Na)'
_chemical_formula_sum            'C Na3 O8 P V'
_chemical_formula_weight         290.89

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'
P P 0.1023 0.0942 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   6.3646(4)
_cell_length_b                   6.3135(3)
_cell_length_c                   8.8975(4)
_cell_angle_alpha                90
_cell_angle_beta                 110.334(6)
_cell_angle_gamma                90
_cell_volume                     335.25(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    160(2)
_cell_measurement_reflns_used    3313
_cell_measurement_theta_min      2.438
_cell_measurement_theta_max      34.631

_exptl_crystal_description       plate
_exptl_crystal_colour            green-blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.882
_exptl_crystal_F_000             282
_exptl_transmission_factor_min   0.811
_exptl_transmission_factor_max   1.000
_exptl_crystal_size_max          0.243
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.927
_shelx_estimated_absorpt_T_min   0.652
_shelx_estimated_absorpt_T_max   0.893
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_T_max  1.253
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.67a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      160(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.2283
_diffrn_reflns_number            5788
_diffrn_reflns_av_unetI/netI     0.0117
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.441
_diffrn_reflns_theta_max         29.978
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             1056
_reflns_number_gt                1021
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'
_computing_structure_solution    SHELST
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    DIMOND
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0100P)²+0.4000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     Direct
_atom_sites_solution_secondary   Diffmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1056
_refine_ls_number_parameters     79
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_ref         0.0468
_refine_ls_wR_factor_gt          0.0464
_refine_ls_goodness_of_fit_ref   1.266
_refine_ls_restrained_S_all      1.266
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
V1 V 0.47387(6) 0.250000 0.22774(4) 0.00481(8) Uani 1 2 d S T P . .
P1 P 0.54775(9) 0.250000 -0.12178(6) 0.00559(11) Uani 1 2 d S T P . .
Na1 Na 0.29437(15) 0.250000 0.52688(10) 0.01133(18) Uani 1 2 d S T P . .
Na2 Na 1.07052(11) 0.49294(11) 0.82776(7) 0.01190(14) Uani 1 1 d . . . . .
C1 C 0.8254(3) 0.250000 0.4824(2) 0.0063(4) Uani 1 2 d S T P . .
O1 O 0.6168(3) 0.250000 0.47073(18) 0.0094(3) Uani 1 2 d S T P . .
O2 O 0.9833(3) 0.250000 0.61564(18) 0.0091(3) Uani 1 2 d S T P . .
O3 O 0.46495(18) 0.05667(17) -0.23280(12) 0.0090(2) Uani 1 1 d . . . . .
O4 O 0.8586(3) 0.250000 0.34669(18) 0.0090(3) Uani 1 2 d S T P . .
O5 O 0.4129(3) 0.250000 -0.00564(18) 0.0108(3) Uani 1 2 d S T P . .
O6 O 0.7990(3) 0.250000 -0.03425(19) 0.0106(3) Uani 1 2 d S T P . .
O7 O 0.2236(3) 0.250000 0.23512(18) 0.0092(3) Uani 1 2 d S T P . .


_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
V1 O7 1.6165(16) . ?
V1 O3 1.9723(11) 2_655 ?
V1 O3 1.9723(11) 3_655 ?
V1 O5 1.9755(15) . ?
V1 O1 2.0334(15) . ?
V1 O4 2.3056(16) . ?
V1 C1 2.572(2) . ?
V1 Na1 3.2407(10) . ?
V1 Na2 3.5045(8) 3_766 ?
V1 Na2 3.5045(8) 2_746 ?
P1 O6 1.5161(16) . ?
P1 O3 1.5432(11) . ?
P1 O3 1.5432(11) 4_565 ?
P1 O5 1.5558(16) . ?
P1 Na1 2.9781(10) 1_554 ?
P1 Na2 3.2912(8) 4_464 ?
P1 Na2 3.2912(8) 1_454 ?
P1 Na2 3.3111(8) 3_766 ?
P1 Na2 3.3111(8) 2_746 ?
Na1 O1 2.2743(18) . ?
Na1 O3 2.3722(13) 4_566 ?
Na1 O3 2.3722(13) 1_556 ?
Na1 O2 2.3727(18) 1_455 ?
Na1 O7 2.4758(17) . ?
Na1 O4 2.6780(18) 1_455 ?
Na1 C1 2.871(2) 1_455 ?
Na1 Na2 3.5904(10) 2_646 ?
Na1 Na2 3.5904(10) 3_666 ?
Na1 Na2 3.7683(10) 1_455 ?
Na2 O2 2.3440(13) . ?
Na2 O6 2.3746(13) 3_766 ?
Na2 O7 2.3926(13) 3_666 ?
Na2 O4 2.3943(13) 3_766 ?
Na2 O5 2.6560(14) 1_656 ?
Na2 O3 2.7623(13) 4_666 ?
Na2 O6 2.8845(16) 1_556 ?
Na2 Na2 3.0676(14) 4_565 ?
Na2 Na2 3.2459(14) 4_575 ?
Na2 Na2 3.4815(12) 3_767 ?
C1 O2 1.260(2) . ?
C1 O1 1.295(2) . ?
C1 O4 1.296(2) . ?

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
O7 V1 O3 100.87(3) . 2_655 ?
O7 V1 O3 100.87(3) . 3_655 ?
O3 V1 O3 158.01(7) 2_655 3_655 ?
O7 V1 O5 101.91(7) . . ?
O3 V1 O5 89.37(3) 2_655 . ?
O3 V1 O5 89.37(3) 3_655 . ?
O7 V1 O1 92.28(7) . . ?
O3 V1 O1 87.93(3) 2_655 . ?
O3 V1 O1 87.93(3) 3_655 . ?
O5 V1 O1 165.81(7) . . ?
O7 V1 O4 152.33(7) . . ?
O3 V1 O4 79.62(3) 2_655 . ?
O3 V1 O4 79.62(3) 3_655 . ?
O5 V1 O4 105.77(6) . . ?
O1 V1 O4 60.04(6) . . ?
O7 V1 C1 122.13(7) . . ?
O3 V1 C1 82.85(3) 2_655 . ?
O3 V1 C1 82.85(3) 3_655 . ?
O5 V1 C1 135.96(7) . . ?
O1 V1 C1 29.85(6) . . ?
O4 V1 C1 30.19(6) . . ?
O7 V1 Na1 48.18(6) . . ?
O3 V1 Na1 95.99(3) 2_655 . ?
O3 V1 Na1 95.99(3) 3_655 . ?
O5 V1 Na1 150.09(5) . . ?
O1 V1 Na1 44.10(5) . . ?
O4 V1 Na1 104.14(4) . . ?
C1 V1 Na1 73.95(5) . . ?
O7 V1 Na2 151.738(16) . 3_766 ?
O3 V1 Na2 51.84(3) 2_655 3_766 ?
O3 V1 Na2 106.94(4) 3_655 3_766 ?
O5 V1 Na2 73.84(4) . 3_766 ?
O1 V1 Na2 93.64(4) . 3_766 ?
O4 V1 Na2 42.76(3) . 3_766 ?
C1 V1 Na2 67.36(4) . 3_766 ?
Na1 V1 Na2 131.363(18) . 3_766 ?
O7 V1 Na2 151.738(16) . 2_746 ?
O3 V1 Na2 106.94(4) 2_655 2_746 ?
O3 V1 Na2 51.84(3) 3_655 2_746 ?
O5 V1 Na2 73.84(4) . 2_746 ?
O1 V1 Na2 93.64(4) . 2_746 ?
O4 V1 Na2 42.76(3) . 2_746 ?
C1 V1 Na2 67.36(4) . 2_746 ?
Na1 V1 Na2 131.363(18) . 2_746 ?
Na2 V1 Na2 55.17(2) 3_766 2_746 ?
O6 P1 O3 113.17(6) . . ?
O6 P1 O3 113.17(6) . 4_565 ?
O3 P1 O3 104.55(8) . 4_565 ?
O6 P1 O5 112.68(9) . . ?
O3 P1 O5 106.30(6) . . ?
O3 P1 O5 106.30(6) 4_565 . ?
O6 P1 Na1 128.98(7) . 1_554 ?
O3 P1 Na1 52.28(4) . 1_554 ?
O3 P1 Na1 52.28(4) 4_565 1_554 ?
O5 P1 Na1 118.34(7) . 1_554 ?
O6 P1 Na2 145.98(4) . 4_464 ?
O3 P1 Na2 56.66(4) . 4_464 ?
O3 P1 Na2 100.81(5) 4_565 4_464 ?
O5 P1 Na2 52.75(5) . 4_464 ?
Na1 P1 Na2 73.70(2) 1_554 4_464 ?
O6 P1 Na2 145.98(4) . 1_454 ?
O3 P1 Na2 100.81(5) . 1_454 ?
O3 P1 Na2 56.66(4) 4_565 1_454 ?
O5 P1 Na2 52.75(5) . 1_454 ?
Na1 P1 Na2 73.70(2) 1_554 1_454 ?
Na2 P1 Na2 55.55(3) 4_464 1_454 ?
O6 P1 Na2 40.60(4) . 3_766 ?
O3 P1 Na2 152.50(5) . 3_766 ?
O3 P1 Na2 96.41(4) 4_565 3_766 ?
O5 P1 Na2 84.14(5) . 3_766 ?
Na1 P1 Na2 144.131(19) 1_554 3_766 ?
Na2 P1 Na2 136.487(18) 4_464 3_766 ?
Na2 P1 Na2 105.567(17) 1_454 3_766 ?
O6 P1 Na2 40.60(4) . 2_746 ?
O3 P1 Na2 96.41(4) . 2_746 ?
O3 P1 Na2 152.50(5) 4_565 2_746 ?
O5 P1 Na2 84.14(5) . 2_746 ?
Na1 P1 Na2 144.131(19) 1_554 2_746 ?
Na2 P1 Na2 105.567(17) 4_464 2_746 ?
Na2 P1 Na2 136.487(18) 1_454 2_746 ?
Na2 P1 Na2 58.70(2) 3_766 2_746 ?
O1 Na1 O3 91.88(5) . 4_566 ?
O1 Na1 O3 91.88(5) . 1_556 ?
O3 Na1 O3 61.94(6) 4_566 1_556 ?
O1 Na1 O2 173.70(7) . 1_455 ?
O3 Na1 O2 82.73(5) 4_566 1_455 ?
O3 Na1 O2 82.73(5) 1_556 1_455 ?
O1 Na1 O7 67.59(6) . . ?
O3 Na1 O7 143.58(4) 4_566 . ?
O3 Na1 O7 143.58(4) 1_556 . ?
O2 Na1 O7 118.71(6) 1_455 . ?
O1 Na1 O4 133.96(6) . 1_455 ?
O3 Na1 O4 126.44(5) 4_566 1_455 ?
O3 Na1 O4 126.44(5) 1_556 1_455 ?
O2 Na1 O4 52.34(5) 1_455 1_455 ?
O7 Na1 O4 66.37(5) . 1_455 ?
O1 Na1 C1 160.69(7) . 1_455 ?
O3 Na1 C1 104.62(5) 4_566 1_455 ?
O3 Na1 C1 104.62(5) 1_556 1_455 ?
O2 Na1 C1 25.61(5) 1_455 1_455 ?
O7 Na1 C1 93.09(6) . 1_455 ?
O4 Na1 C1 26.73(5) 1_455 1_455 ?
O1 Na1 P1 91.71(5) . 1_556 ?
O3 Na1 P1 30.97(3) 4_566 1_556 ?
O3 Na1 P1 30.97(3) 1_556 1_556 ?
O2 Na1 P1 81.99(4) 1_455 1_556 ?
O7 Na1 P1 159.30(5) . 1_556 ?
O4 Na1 P1 134.33(5) 1_455 1_556 ?
C1 Na1 P1 107.60(5) 1_455 1_556 ?
O1 Na1 V1 38.48(4) . . ?
O3 Na1 V1 123.97(4) 4_566 . ?
O3 Na1 V1 123.97(4) 1_556 . ?
O2 Na1 V1 147.82(5) 1_455 . ?
O7 Na1 V1 29.12(4) . . ?
O4 Na1 V1 95.49(4) 1_455 . ?
C1 Na1 V1 122.21(5) 1_455 . ?
P1 Na1 V1 130.18(3) 1_556 . ?
O1 Na1 Na2 99.46(4) . 2_646 ?
O3 Na1 Na2 168.07(5) 4_566 2_646 ?
O3 Na1 Na2 120.88(3) 1_556 2_646 ?
O2 Na1 Na2 86.15(4) 1_455 2_646 ?
O7 Na1 Na2 41.59(3) . 2_646 ?
O4 Na1 Na2 41.83(3) 1_455 2_646 ?
C1 Na1 Na2 63.57(4) 1_455 2_646 ?
P1 Na1 Na2 150.627(17) 1_556 2_646 ?
V1 Na1 Na2 65.367(19) . 2_646 ?
O1 Na1 Na2 99.46(4) . 3_666 ?
O3 Na1 Na2 120.88(3) 4_566 3_666 ?
O3 Na1 Na2 168.07(5) 1_556 3_666 ?
O2 Na1 Na2 86.15(4) 1_455 3_666 ?
O7 Na1 Na2 41.59(3) . 3_666 ?
O4 Na1 Na2 41.83(3) 1_455 3_666 ?
C1 Na1 Na2 63.57(4) 1_455 3_666 ?
P1 Na1 Na2 150.627(17) 1_556 3_666 ?
V1 Na1 Na2 65.367(19) . 3_666 ?
Na2 Na1 Na2 53.75(2) 2_646 3_666 ?
O1 Na1 Na2 138.48(4) . 1_455 ?
O3 Na1 Na2 46.98(3) 4_566 1_455 ?
O3 Na1 Na2 74.73(4) 1_556 1_455 ?
O2 Na1 Na2 36.71(3) 1_455 1_455 ?
O7 Na1 Na2 140.27(4) . 1_455 ?
O4 Na1 Na2 81.77(4) 1_455 1_455 ?
C1 Na1 Na2 57.75(4) 1_455 1_455 ?
P1 Na1 Na2 56.960(19) 1_556 1_455 ?
V1 Na1 Na2 155.738(13) . 1_455 ?
Na2 Na1 Na2 121.30(3) 2_646 1_455 ?
Na2 Na1 Na2 98.72(2) 3_666 1_455 ?
O2 Na2 O6 172.52(6) . 3_766 ?
O2 Na2 O7 107.97(5) . 3_666 ?
O6 Na2 O7 75.65(5) 3_766 3_666 ?
O2 Na2 O4 88.10(4) . 3_766 ?
O6 Na2 O4 86.81(5) 3_766 3_766 ?
O7 Na2 O4 72.36(5) 3_666 3_766 ?
O2 Na2 O5 89.44(4) . 1_656 ?
O6 Na2 O5 87.96(4) 3_766 1_656 ?
O7 Na2 O5 161.06(5) 3_666 1_656 ?
O4 Na2 O5 116.77(5) 3_766 1_656 ?
O2 Na2 O3 75.27(5) . 4_666 ?
O6 Na2 O3 97.54(5) 3_766 4_666 ?
O7 Na2 O3 136.19(5) 3_666 4_666 ?
O4 Na2 O3 64.01(4) 3_766 4_666 ?
O5 Na2 O3 54.43(4) 1_656 4_666 ?
O2 Na2 O6 89.17(5) . 1_556 ?
O6 Na2 O6 97.71(4) 3_766 1_556 ?
O7 Na2 O6 85.66(4) 3_666 1_556 ?
O4 Na2 O6 155.78(5) 3_766 1_556 ?
O5 Na2 O6 87.25(4) 1_656 1_556 ?
O3 Na2 O6 137.92(4) 4_666 1_556 ?
O2 Na2 Na2 49.13(3) . 4_565 ?
O6 Na2 Na2 133.11(3) 3_766 4_565 ?
O7 Na2 Na2 132.71(3) 3_666 4_565 ?
O4 Na2 Na2 132.67(3) 3_766 4_565 ?
O5 Na2 Na2 54.73(2) 1_656 4_565 ?
O3 Na2 Na2 83.49(3) 4_666 4_565 ?
O6 Na2 Na2 57.88(2) 1_556 4_565 ?
O2 Na2 Na2 130.87(3) . 4_575 ?
O6 Na2 Na2 46.88(3) 3_766 4_575 ?
O7 Na2 Na2 47.29(3) 3_666 4_575 ?
O4 Na2 Na2 47.33(3) 3_766 4_575 ?
O5 Na2 Na2 125.27(2) 1_656 4_575 ?
O3 Na2 Na2 96.51(3) 4_666 4_575 ?
O6 Na2 Na2 122.12(2) 1_556 4_575 ?
Na2 Na2 Na2 180.00(5) 4_565 4_575 ?
O2 Na2 P1 75.76(4) . 1_656 ?
O6 Na2 P1 98.92(4) 3_766 1_656 ?
O7 Na2 P1 163.36(4) 3_666 1_656 ?
O4 Na2 P1 91.81(4) 3_766 1_656 ?
O5 Na2 P1 27.79(3) 1_656 1_656 ?
O3 Na2 P1 27.82(2) 4_666 1_656 ?
O6 Na2 P1 110.80(3) 1_556 1_656 ?
Na2 Na2 P1 62.223(13) 4_565 1_656 ?
Na2 Na2 P1 117.777(13) 4_575 1_656 ?
O2 Na2 P1 149.35(5) . 3_766 ?
O6 Na2 P1 24.55(4) 3_766 3_766 ?
O7 Na2 P1 98.74(4) 3_666 3_766 ?
O4 Na2 P1 85.88(4) 3_766 3_766 ?
O5 Na2 P1 66.90(3) 1_656 3_766 ?
O3 Na2 P1 75.09(3) 4_666 3_766 ?
O6 Na2 P1 107.94(3) 1_556 3_766 ?
Na2 Na2 P1 119.351(12) 4_565 3_766 ?
Na2 Na2 P1 60.649(13) 4_575 3_766 ?
P1 Na2 P1 74.432(17) 1_656 3_766 ?
O2 Na2 Na2 131.62(5) . 3_767 ?
O6 Na2 Na2 55.19(4) 3_766 3_767 ?
O7 Na2 Na2 76.60(4) 3_666 3_767 ?
O4 Na2 Na2 135.86(4) 3_766 3_767 ?
O5 Na2 Na2 86.33(4) 1_656 3_767 ?
O3 Na2 Na2 134.79(4) 4_666 3_767 ?
O6 Na2 Na2 42.52(3) 1_556 3_767 ?
Na2 Na2 Na2 91.47(2) 4_565 3_767 ?
Na2 Na2 Na2 88.53(2) 4_575 3_767 ?
P1 Na2 Na2 113.57(3) 1_656 3_767 ?
P1 Na2 Na2 68.58(2) 3_766 3_767 ?
O2 C1 O1 122.40(19) . . ?
O2 C1 O4 122.79(19) . . ?
O1 C1 O4 114.82(18) . . ?
O2 C1 V1 173.77(16) . . ?
O1 C1 V1 51.37(10) . . ?
O4 C1 V1 63.44(11) . . ?
O2 C1 Na1 54.49(11) . 1_655 ?
O1 C1 Na1 176.89(15) . 1_655 ?
O4 C1 Na1 68.29(11) . 1_655 ?
V1 C1 Na1 131.74(8) . 1_655 ?
C1 O1 V1 98.78(12) . . ?
C1 O1 Na1 163.80(14) . . ?
V1 O1 Na1 97.42(6) . . ?
C1 O2 Na2 130.23(8) . . ?
C1 O2 Na2 130.23(8) . 4_565 ?
Na2 O2 Na2 81.74(6) . 4_565 ?
C1 O2 Na1 99.89(13) . 1_655 ?
Na2 O2 Na1 106.05(5) . 1_655 ?
Na2 O2 Na1 106.05(5) 4_565 1_655 ?
P1 O3 V1 137.82(7) . 3_655 ?
P1 O3 Na1 96.75(5) . 1_554 ?
V1 O3 Na1 123.41(5) 3_655 1_554 ?
P1 O3 Na2 95.52(5) . 4_464 ?
V1 O3 Na2 94.00(4) 3_655 4_464 ?
Na1 O3 Na2 94.12(4) 1_554 4_464 ?
C1 O4 V1 86.36(12) . . ?
C1 O4 Na2 137.08(3) . 2_746 ?
V1 O4 Na2 96.41(5) . 2_746 ?
C1 O4 Na2 137.08(3) . 3_766 ?
V1 O4 Na2 96.41(5) . 3_766 ?
Na2 O4 Na2 85.35(6) 2_746 3_766 ?
C1 O4 Na1 84.98(12) . 1_655 ?
V1 O4 Na1 171.34(7) . 1_655 ?
Na2 O4 Na1 89.94(5) 2_746 1_655 ?
Na2 O4 Na1 89.94(5) 3_766 1_655 ?
P1 O5 V1 138.25(10) . . ?
P1 O5 Na2 99.45(6) . 4_464 ?
V1 O5 Na2 114.20(6) . 4_464 ?
P1 O5 Na2 99.45(6) . 1_454 ?
V1 O5 Na2 114.20(6) . 1_454 ?
Na2 O5 Na2 70.55(5) 4_464 1_454 ?
P1 O6 Na2 114.85(7) . 3_766 ?
P1 O6 Na2 114.85(7) . 2_746 ?
Na2 O6 Na2 86.23(6) 3_766 2_746 ?
P1 O6 Na2 117.54(7) . 1_554 ?
Na2 O6 Na2 82.29(4) 3_766 1_554 ?
Na2 O6 Na2 126.34(6) 2_746 1_554 ?
P1 O6 Na2 117.54(7) . 4_564 ?
Na2 O6 Na2 126.34(6) 3_766 4_564 ?
Na2 O6 Na2 82.29(4) 2_746 4_564 ?
Na2 O6 Na2 64.25(4) 1_554 4_564 ?
V1 O7 Na2 133.82(4) . 2_646 ?
V1 O7 Na2 133.82(4) . 3_666 ?
Na2 O7 Na2 85.43(6) 2_646 3_666 ?
V1 O7 Na1 102.70(7) . . ?
Na2 O7 Na1 95.02(5) 2_646 . ?
Na2 O7 Na1 95.02(5) 3_666 . ?

_refine_diff_density_max         0.485
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.075



_exptl_crystal_recrystallization_method hydrothermal
