##############################################################################
###      FullProf-generated CIF output file  (version: May 2019)           ###
###      Template of CIF submission form for structure report              ###
##############################################################################
 
# This file has been generated using FullProf.2k taking one example of 
# structure report provided by Acta Cryst. It is given as a 'template' with 
# filled structural items. Many other items are left unfilled and it is the  
# responsibility of the user to properly fill or suppress them. In principle 
# all question marks '?' should be replaced by the appropriate text or 
# numerical value depending on the kind of CIF item. 
# See the document: cif_core.dic (URL: http://www.iucr.org) for details. 
 
# Please notify any error or suggestion to: 
#           Juan Rodriguez-Carvajal (jrc@ill.eu)
# Improvements will be progressively added as needed.
#      Date: 04/05/2021  Time: 12:11:24.522
 
 
#=============================================================================
 data_global
#=============================================================================
 
_audit_creation_date  04/05/2021  
_audit_creation_method  "FullProf Suite"
# PROCESSING SUMMARY (IUCr Office Use Only)
 
_journal_data_validation_number      ?
 
_journal_date_recd_electronic        ?
_journal_date_to_coeditor            ?
_journal_date_from_coeditor          ?
_journal_date_accepted               ?
_journal_date_printers_first         ?
_journal_date_printers_final         ?
_journal_date_proofs_out             ?
_journal_date_proofs_in              ?
_journal_coeditor_name               ?
_journal_coeditor_code               ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code             ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                  ?
_journal_name_full                   ?
_journal_year                        ?
_journal_volume                      ?
_journal_issue                       ?
_journal_page_first                  ?
_journal_page_last                   ?
_journal_paper_category              ?
_journal_suppl_publ_number           ?
_journal_suppl_publ_pages            ?
 
#=============================================================================
 
# 1. SUBMISSION DETAILS
 
_publ_contact_author_name            ?  # Name of author for correspondence
_publ_contact_author_address            # Address of author for correspondence
; ?
;
_publ_contact_author_email           ?
_publ_contact_author_fax             ?
_publ_contact_author_phone           ?
 
_publ_contact_letter
; ?
;
 
_publ_requested_journal              ?
_publ_requested_coeditor_name        ?
_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO
 
 
# Definition of non standard CIF items (Reliability indices used in FULLPROF) 
 
loop_ 
_publ_manuscript_incl_extra_item
_publ_manuscript_incl_extra_info
_publ_manuscript_incl_extra_defn
#      Name                               Explanation                 Standard?
#     ------                              -----------                 ---------
 '_pd_proc_ls_prof_cR_factor'    'Prof. R-factor CORRECTED for background'   no
 '_pd_proc_ls_prof_cwR_factor'   'wProf.R-factor CORRECTED for background'   no
 '_pd_proc_ls_prof_cwR_expected' 'wProf.Expected CORRECTED for background'   no
 '_pd_proc_ls_prof_chi2'         'Chi-square for all considered points'      no
 '_pd_proc_ls_prof_echi2'        'Chi-2 for points with Bragg contribution'  no
#=============================================================================
 
# 3. TITLE AND AUTHOR LIST
 
_publ_section_title
; ' NA2VOH Rietveld refinement TCH'
;
_publ_section_title_footnote
;
;
 
# The loop structure below should contain the names and addresses of all 
# authors, in the required order of publication. Repeat as necessary.
 
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
?                                   #<--'Last name, first name' 
; ?
;
; ?
;
 
#=============================================================================
 
# 4. TEXT
 
_publ_section_synopsis
;  ?
;
_publ_section_abstract
; ?
;          
_publ_section_comment
; ?
;
_publ_section_exptl_prep      # Details of the preparation of the sample(s)
                              # should be given here. 
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_references
; ?
;
_publ_section_figure_captions
; ?
;
_publ_section_acknowledgements
; ?
;
 
#=============================================================================
 
#=============================================================================
# If more than one structure is reported, the remaining sections should be 
# completed per structure. For each data set, replace the '?' in the
# data_? line below by a unique identifier.
 
data_NaVPOH 
 
#=============================================================================
 
# 5. CHEMICAL DATA
 
_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_iupac           ?
_chemical_formula_sum             'H8 Na8 O36 P8 V4'
_chemical_formula_weight          1219.50
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and 
                                          # natural products
 
loop_
    _atom_type_symbol               
    _atom_type_scat_Cromer_Mann_a1 
    _atom_type_scat_Cromer_Mann_b1 
    _atom_type_scat_Cromer_Mann_a2 
    _atom_type_scat_Cromer_Mann_b2 
    _atom_type_scat_Cromer_Mann_a3 
    _atom_type_scat_Cromer_Mann_b3 
    _atom_type_scat_Cromer_Mann_a4 
    _atom_type_scat_Cromer_Mann_b4 
    _atom_type_scat_Cromer_Mann_c 
    _atom_type_scat_dispersion_real 
    _atom_type_scat_dispersion_imag 
    _atom_type_scat_source          
v     10.29710   6.86570   7.35110   0.43850   2.07030  26.89380
       2.05710 102.47800   1.21990   0.03500   2.11000
 International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
p      6.43450   1.90670   4.17910  27.15700   1.78000   0.52600
       1.49080  68.16450   1.11490   0.28300   0.43400
 International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
na     4.76260   3.28500   3.17360   8.84220   1.26740   0.31360
       1.11280 129.42400   0.67600   0.12900   0.12400
 International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
h      0.49300  10.51090   0.32291  26.12570   0.14019   3.14236
       0.04081  57.79970   0.00304   0.00000   0.00000
 International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
o      3.04850  13.27710   2.28680   5.70110   1.54630   0.32390
       0.86700  32.90890   0.25080   0.04700   0.03200
 International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
 
#=============================================================================
 
# 6. POWDER SPECIMEN AND CRYSTAL DATA
 
_symmetry_cell_setting                Orthorhombic
_symmetry_space_group_name_H-M       'I b a 2'
_symmetry_space_group_name_Hall      'I 2 -2c'
 
loop_
    _symmetry_equiv_pos_as_xyz   #<--must include 'x,y,z'
'x,y,z'
'-x+1/2,y+1/2,z'
'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,-y,z+1/2'
'-x+1/2,-y+1/2,z+1/2'
 
_cell_length_a                       13.86852(19)
_cell_length_b                       13.7985(2)
_cell_length_c                       7.47677(9)
_cell_angle_alpha                    90.0000
_cell_angle_beta                     90.0000
_cell_angle_gamma                    90.0000
_cell_volume                         1430.79(3)
_cell_formula_units_Z                2
_cell_measurement_temperature        295
_cell_special_details
; ?
;
# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.
 
_pd_spec_size_axial               ?       # perpendicular to 
                                          # equatorial plane
_pd_spec_size_equat               ?       # parallel to 
                                          # scattering vector
                                          # in transmission
_pd_spec_size_thick               ?       # parallel to 
                                          # scattering vector
                                          # in reflection
 
# The next five fields are character fields that describe the specimen.
 
_pd_spec_mounting                         # This field should be
                                          # used to give details of the 
                                          # container.
; ?
;
_pd_spec_mount_mode               ?       # options are 'reflection'
                                          # or 'transmission'
_pd_spec_shape                    ?       # options are 'cylinder' 
                                          # 'flat_sheet' or 'irregular'
_pd_char_particle_morphology      ?
_pd_char_colour                   light_blue       # use ICDD colour descriptions
 
# The following three fields describe the preparation of the specimen.
# The cooling rate is in K/min.  The pressure at which the sample was 
# prepared is in kPa.  The temperature of preparation is in K.        
 
_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              ?
 
# The next four fields are normally only needed for transmission experiments.
 
_exptl_absorpt_coefficient_mu        ?
_exptl_absorpt_correction_type       ?
_exptl_absorpt_process_details       ?
_exptl_absorpt_correction_T_min      ?
_exptl_absorpt_correction_T_max      ?
 
#=============================================================================
 
# 7. EXPERIMENTAL DATA
 
_exptl_special_details
; ?
;
 
# The following item is used to identify the equipment used to record 
# the powder pattern when the diffractogram was measured at a laboratory 
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.
 
_pd_instr_location
; ?
;
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
; ?
;
 
_diffrn_ambient_temperature          295
_diffrn_source             'sealed X-ray tube' 
_diffrn_radiation_type     'Cu K\a'
_diffrn_source_target      Cu
 
_diffrn_radiation_monochromator      ?
_diffrn_measurement_device_type      'Bruker D8Advance'
_diffrn_measurement_method           ?
_diffrn_detector_area_resol_mean     ? 
_diffrn_detector                     ?
_diffrn_detector_type                ? # make or model of detector
_pd_meas_scan_method      ?   # options are 'step', 'cont',
                              # 'tof', 'fixed' or
                              # 'disp' (= dispersive)
_pd_meas_special_details
;  ?
;
 
#  The following four items give details of the measured (not processed)
#  powder pattern.  Angles are in degrees.
 
_pd_meas_number_of_points         8577
_pd_meas_2theta_range_min         10.06290
_pd_meas_2theta_range_max         100.00200
_pd_meas_2theta_range_inc         0.010488
 
#=============================================================================
 
# 8. REFINEMENT DATA
 
_refine_special_details
; ?
;
 
# Use the next field to give any special details about the fitting of the
# powder pattern.
 
_pd_proc_ls_special_details
; ?
;
 
# The next three items are given as text.
 
_pd_proc_ls_profile_function      ?
_pd_proc_ls_background_function   ?
_pd_proc_ls_pref_orient_corr
; ?
;
 
#  The following profile R-factors are NOT CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These are the current CIF standard
 
_pd_proc_ls_prof_R_factor                9.9445
_pd_proc_ls_prof_wR_factor              14.3864
_pd_proc_ls_prof_wR_expected             3.2264
 
#  The following profile R-factors are CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These items are not in the current CIF standard, but are defined above
 
_pd_proc_ls_prof_cR_factor               30.6852
_pd_proc_ls_prof_cwR_factor              31.1931
_pd_proc_ls_prof_cwR_expected             6.9956
 
#  The following items are not in the CIF standard, but are defined above
 
_pd_proc_ls_prof_chi2                19.8824
_pd_proc_ls_prof_echi2               21.1948
 
# The following item is the same as CHI, the square root of 'CHI squared', Calculated from _pd_proc_ls_prof_chi2
_refine_ls_goodness_of_fit_all       4.46 

#  Items related to LS refinement
 
_refine_ls_R_I_factor                28.7738
_refine_ls_number_reflns                   437
_refine_ls_number_parameters                49
_refine_ls_number_restraints                 0
 
# The following four items apply to angular dispersive measurements.
# 2theta minimum, maximum and increment (in degrees) are for the 
# intensities used in the refinement.
 
_pd_proc_2theta_range_min               10.0629
_pd_proc_2theta_range_max              100.0020
_pd_proc_2theta_range_inc              0.010488
_pd_proc_wavelength                    1.540560
 
_pd_block_diffractogram_id        ?  # The id used for the block containing
                                     # the powder pattern profile (section 11)
 
# Give appropriate details in the next two text fields.
 
_pd_proc_info_excluded_regions    ?
_pd_proc_info_data_reduction      ?
 
# The following items are used to identify the programs used.
 
_computing_data_collection           ?
_computing_structure_solution        ?
_computing_structure_refinement      FULLPROF
_computing_molecular_graphics        ?
_computing_publication_material      ?
 
#=============================================================================
 
# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
 
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    _atom_site_adp_type
    _atom_site_type_symbol
 V1  0.7507(15)  0.2330(3)  0.03(3)  0.00709  1.00000 Uiso V     
 P1  0.8946(10)  0.3846(9) -0.17(3)  0.00709  1.00000 Uiso P     
 P2  0.6077(10)  0.3913(9) -0.19(3)  0.00709  1.00000 Uiso P     
 Na1  0.0048(18)  0.2367(11)  0.05(3)  0.00709  1.00000 Uiso Na    
 Na2  0.7621(12)  0.4999(10) -0.42(3)  0.00709  1.00000 Uiso Na    
 H1  0.45300  0.38000 -0.1720  0.00709  1.00000 Uiso H     
 H2  0.06700  0.37000 -0.1820  0.00709  1.00000 Uiso H     
 O1  0.835(3)  0.1506(19)  0.15(3)  0.00709  1.00000 Uiso O     
 O2  0.657(3)  0.3473(20) -0.02(3)  0.00709  1.00000 Uiso O     
 O3  0.860(2)  0.3292(19) -0.01(3)  0.00709  1.00000 Uiso O     
 O4  0.8734(19)  0.4868(18) -0.19(3)  0.00709  1.00000 Uiso O     
 O5  0.6386(18)  0.5023(17) -0.16(3)  0.00709  1.00000 Uiso O     
 O6  0.008(2)  0.3654(17) -0.18(4)  0.00709  1.00000 Uiso O     
 O7  0.503(2)  0.3755(18) -0.17(4)  0.00709  1.00000 Uiso O     
 O8  0.744(3)  0.1871(9) -0.23(3)  0.00709  1.00000 Uiso O     
 O9  0.647(2)  0.1711(20)  0.15(4)  0.00709  1.00000 Uiso O     
 
# Note: if the displacement parameters were refined anisotropically
# the U matrices should be given as for single-crystal studies.
 
#=============================================================================
 
# 10. DISTANCES AND ANGLES / MOLECULAR GEOMETRY 
 
_geom_special_details                ?
 
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    O1    1.86(16)      1_555 ?
V1    O2    2.08(7)       1_555 ?
V1    O3    2.04(6)       1_555 ?
V1    O8    2.0(3)        1_555 ?
V1    O8    2.1(3)        8_655 ?
V1    O9    1.90(18)      1_555 ?
P1    H2    2.401(16)     1_655 ?
P1    O3    1.5(3)        1_555 ?
P1    O4    1.45(4)       1_555 ?
P1    O6    1.60(4)       1_655 ?
P1    O9    1.7(3)        8_654 ?
P2    H1    2.155(20)     1_555 ?
P2    O1    1.5(2)        8_654 ?
P2    O2    1.6(3)        1_555 ?
P2    O5    1.61(5)       1_555 ?
P2    O7    1.48(5)       1_555 ?
Na1   H1    2.42(15)      3_455 ?
Na1   O2    2.46(8)       3_455 ?
Na1   O3    2.42(7)       1_455 ?
Na1   O6    2.5(3)        1_555 ?
Na1   O7    2.3(3)        3_455 ?
Na1   O9    2.46(12)      3_455 ?
Na2   O4    2.3(2)        1_555 ?
Na2   O5    2.5(2)        7_564 ?
H1    P2    2.155(20)     1_555 ?
H1    Na1   2.42(15)      3_555 ?
H1    O5    2.06(3)       4_665 ?
H1    O7    0.70(3)       1_555 ?
H2    P1    2.401(16)     1_455 ?
H2    O4    2.14(3)       4_665 ?
H2    O6    0.82(3)       1_555 ?
O1    V1    1.86(16)      1_555 ?
O1    P2    1.5(2)        8_655 ?
O1    O2    2.5(3)        8_655 ?
O2    V1    2.08(7)       1_555 ?
O2    P2    1.6(3)        1_555 ?
O2    Na1   2.46(8)       3_555 ?
O2    O1    2.5(3)        8_654 ?
O2    O5    2.39(14)      1_555 ?
O2    O7    2.44(18)      1_555 ?
O3    V1    2.04(6)       1_555 ?
O3    P1    1.5(3)        1_555 ?
O3    Na1   2.42(7)       1_655 ?
O3    O6    2.47(20)      1_655 ?
O4    P1    1.45(4)       1_555 ?
O4    Na2   2.3(2)        1_555 ?
O4    H2    2.14(3)       4_665 ?
O5    P2    1.61(5)       1_555 ?
O5    Na2   2.5(2)        7_565 ?
O5    H1    2.06(3)       4_665 ?
O5    O2    2.39(14)      1_555 ?
O6    P1    1.60(4)       1_455 ?
O6    Na1   2.5(3)        1_555 ?
O6    H2    0.82(3)       1_555 ?
O6    O3    2.47(20)      1_455 ?
O7    P2    1.48(5)       1_555 ?
O7    Na1   2.3(3)        3_555 ?
O7    H1    0.70(3)       1_555 ?
O7    O2    2.44(18)      1_555 ?
O8    V1    2.0(3)        1_555 ?
O8    V1    2.1(3)        8_654 ?
O9    V1    1.90(18)      1_555 ?
O9    P1    1.7(3)        8_655 ?
O9    Na1   2.46(12)      3_555 ?

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   V1   O2    161(8)         1_555    1_555 ?
 O1   V1   O3    90(8)          1_555    1_555 ?
 O1   V1   O8    107(17)        1_555    1_555 ?
 O1   V1   O8    84(10)         1_555    8_655 ?
 O1   V1   O9    88(8)          1_555    1_555 ?
 O2   V1   O3    87(3)          1_555    1_555 ?
 O2   V1   O8    92(11)         1_555    1_555 ?
 O2   V1   O8    77(12)         1_555    8_655 ?
 O2   V1   O9    87(9)          1_555    1_555 ?
 O3   V1   O8    96(11)         1_555    1_555 ?
 O3   V1   O8    76(12)         1_555    8_655 ?
 O3   V1   O9    158(9)         1_555    1_555 ?
 O8   V1   O8    166(19)        1_555    8_655 ?
 O8   V1   O9    106(19)        1_555    1_555 ?
 O8   V1   O9    82(10)         8_655    1_555 ?
 H2   P1   O3    108(11)        1_655    1_555 ?
 H2   P1   O4    106(2)         1_655    1_555 ?
 H2   P1   O9    106(12)        1_655    8_654 ?
 O3   P1   O4    121(15)        1_555    1_555 ?
 O3   P1   O6    106(15)        1_555    1_655 ?
 O3   P1   O9    108(26)        1_555    8_654 ?
 O4   P1   O6    111(3)         1_555    1_655 ?
 O4   P1   O9    107(15)        1_555    8_654 ?
 O6   P1   O9    103(16)        1_655    8_654 ?
 H1   P2   O1    122(11)        1_555    8_654 ?
 H1   P2   O2    111(11)        1_555    1_555 ?
 H1   P2   O5    109(2)         1_555    1_555 ?
 O1   P2   O2    105(23)        8_654    1_555 ?
 O1   P2   O5    109(14)        8_654    1_555 ?
 O1   P2   O7    122(16)        8_654    1_555 ?
 O2   P2   O5    98(12)         1_555    1_555 ?
 O2   P2   O7    107(14)        1_555    1_555 ?
 O5   P2   O7    113(4)         1_555    1_555 ?
 H1   Na1  O2    78(5)          3_455    3_455 ?
 H1   Na1  O3    89(5)          3_455    1_455 ?
 H1   Na1  O6    90(7)          3_455    1_555 ?
 H1   Na1  O9    142(8)         3_455    3_455 ?
 O2   Na1  O3    157(3)         3_455    1_455 ?
 O2   Na1  O6    100(8)         3_455    1_555 ?
 O2   Na1  O7    62(8)          3_455    3_455 ?
 O2   Na1  O9    68(6)          3_455    3_455 ?
 O3   Na1  O6    60(8)          1_455    1_555 ?
 O3   Na1  O7    103(9)         1_455    3_455 ?
 O3   Na1  O9    117(6)         1_455    3_455 ?
 O6   Na1  O7    89(9)          1_555    3_455 ?
 O6   Na1  O9    80(12)         1_555    3_455 ?
 O7   Na1  O9    126(13)        3_455    3_455 ?
 O4   Na2  O5    175(14)        1_555    7_564 ?
 P2   H1   Na1   78(7)          1_555    3_555 ?
 P2   H1   O5    124.0(19)      1_555    4_665 ?
 Na1  H1   O5    133(7)         3_555    4_665 ?
 Na1  H1   O7    68(21)         3_555    1_555 ?
 O5   H1   O7    133(5)         4_665    1_555 ?
 P1   H2   O4    107.9(15)      1_455    4_665 ?
 O4   H2   O6    117(4)         4_665    1_555 ?
 V1   O1   P2    157(17)        1_555    8_655 ?
 V1   O1   O2    120(16)        1_555    8_655 ?
 V1   O2   P2    136(13)        1_555    1_555 ?
 V1   O2   Na1   98(3)          1_555    3_555 ?
 V1   O2   O1    99(13)         1_555    8_654 ?
 V1   O2   O5    145(7)         1_555    1_555 ?
 V1   O2   O7    139(8)         1_555    1_555 ?
 P2   O2   Na1   89(13)         1_555    3_555 ?
 Na1  O2   O1    105(12)        3_555    8_654 ?
 Na1  O2   O5    115(6)         3_555    1_555 ?
 Na1  O2   O7    55(7)          3_555    1_555 ?
 O1   O2   O5    64(9)          8_654    1_555 ?
 O1   O2   O7    65(10)         8_654    1_555 ?
 O5   O2   O7    64(5)          1_555    1_555 ?
 V1   O3   P1    133(13)        1_555    1_555 ?
 V1   O3   Na1   104(3)         1_555    1_655 ?
 V1   O3   O6    146(8)         1_555    1_655 ?
 P1   O3   Na1   99(13)         1_555    1_655 ?
 Na1  O3   O6    61(8)          1_655    1_655 ?
 P1   O4   Na2   107(12)        1_555    1_555 ?
 P1   O4   H2    145(2)         1_555    4_665 ?
 Na2  O4   H2    102(7)         1_555    4_665 ?
 P2   O5   Na2   106(11)        1_555    7_565 ?
 P2   O5   H1    125(2)         1_555    4_665 ?
 Na2  O5   H1    118(7)         7_565    4_665 ?
 Na2  O5   O2    66(7)          7_565    1_555 ?
 H1   O5   O2    142(5)         4_665    1_555 ?
 P1   O6   Na1   94(10)         1_455    1_555 ?
 P1   O6   H2    166(3)         1_455    1_555 ?
 Na1  O6   H2    95(13)         1_555    1_555 ?
 Na1  O6   O3    59(8)          1_555    1_455 ?
 H2   O6   O3    149(10)        1_555    1_455 ?
 P2   O7   Na1   99(12)         1_555    3_555 ?
 P2   O7   H1    165(4)         1_555    1_555 ?
 Na1  O7   H1    95(15)         3_555    1_555 ?
 Na1  O7   O2    63(8)          3_555    1_555 ?
 H1   O7   O2    153(11)        1_555    1_555 ?
 V1   O8   V1    130(19)        1_555    8_654 ?
 V1   O9   P1    149(18)        1_555    8_655 ?
 V1   O9   Na1   103(6)         1_555    3_555 ?
 P1   O9   Na1   102(14)        8_655    3_555 ? 
#=============================================================================
# start Validation Reply Form
_vrf_POWD002_
;
PROBLEM: Alert level B
PLAT113_ALERT_2_B ADDSYM Suggests Possible Pseudo/New Space Group Abm2 Check
RESPONSE: It cannot be a A centering since I centering has been clearly 
evidenced by electron diffraction
;
# end Validation Reply Form 
#=============================================================================
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#=============================================================================
 
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