#benyahia <benyahia.hamdi@aist.go.jp>
#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 15/03/2013'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_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_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       'Acta Crystallographica Section C'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
; ?
;
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  'Acta Crystallographica Section C'
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2006). Jana2006.
Structure Determination Software Programs.
Institute of Physics, Praha, Czech Republic.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 'Cl1 La4 O8 P1'
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Cl1 La4 O8 P1'
_chemical_formula_weight                 750
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   monoclinic
_symmetry_space_group_name_H-M           'P 1 21/c 1'
_symmetry_space_group_name_Hall          '-P 2ybc'
_symmetry_Int_Tables_number              14

loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
 1   x,y,z
 2   -x,y+1/2,-z+1/2
 3   -x,-y,-z
 4   x,-y+1/2,z+1/2

_cell_length_a                           11.0803(5)
_cell_length_b                           11.7675(4)
_cell_length_c                           14.7797(7)
_cell_angle_alpha                        90
_cell_angle_beta                         104.152(4)
_cell_angle_gamma                        90
_cell_volume                             1868.60(14)

loop_
 _jana_cell_twin_matrix_id
 _jana_cell_twin_volume_fraction
 _jana_cell_twin_matrix_1_1
 _jana_cell_twin_matrix_1_2
 _jana_cell_twin_matrix_1_3
 _jana_cell_twin_matrix_2_1
 _jana_cell_twin_matrix_2_2
 _jana_cell_twin_matrix_2_3
 _jana_cell_twin_matrix_3_1
 _jana_cell_twin_matrix_3_2
 _jana_cell_twin_matrix_3_3
 ? ? ? ? ? ? ? ? ? ? ?
_cell_formula_units_Z                    8

_cell_measurement_reflns_used            43992
_cell_measurement_theta_min              2.24
_cell_measurement_theta_max              32.01
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            5.3305
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     2592

_exptl_absorpt_coefficient_mu            18.387
_exptl_crystal_description               plate
_exptl_crystal_size_max                  0.063
_exptl_crystal_size_mid                  0.052
_exptl_crystal_size_min                  0.006
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    colorless
_exptl_absorpt_correction_type           gaussian
_exptl_absorpt_process_details
 'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_absorpt_correction_T_min          0.3572
_exptl_absorpt_correction_T_max          0.8921

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_source                           ?
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71069
_diffrn_radiation_monochromator          graphite
_diffrn_measurement_device               'four-cycle diffractometer'
_diffrn_measurement_device_type          'IPDS Stoe'
_diffrn_detector                         ?
_diffrn_detector_area_resol_mean         ?
_diffrn_measurement_method               'Multi-Scan'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    43992
_diffrn_reflns_theta_min                 2.24
_diffrn_reflns_theta_max                 32.01
_diffrn_reflns_theta_full                32.01
_diffrn_measured_fraction_theta_max      1
_diffrn_measured_fraction_theta_full     1
_diffrn_reflns_av_R_equivalents          0.1203
_diffrn_reflns_av_sigmaI/netI            0.0955
_diffrn_reflns_limit_h_min               -16
_diffrn_reflns_limit_h_max               16
_diffrn_reflns_limit_k_min               -17
_diffrn_reflns_limit_k_max               17
_diffrn_reflns_limit_l_min               -21
_diffrn_reflns_limit_l_max               21
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     6412
_reflns_number_gt                        1888
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.0376
_refine_ls_wR_factor_gt                  0.0814
_refine_ls_R_factor_all                  0.0376
_refine_ls_wR_factor_ref                 0.0814
_refine_ls_goodness_of_fit_ref           1.17
_refine_ls_goodness_of_fit_gt            1.17
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 1888
_refine_ls_number_parameters             114
_refine_ls_number_restraints             0
_refine_ls_number_constraints            0
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.0009I²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0030
_refine_ls_shift/su_mean                 0.0002
_refine_diff_density_max                 2.68
_refine_diff_density_min                 -2.73
_refine_ls_extinction_method
 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef               980(190)
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Cl  0.1484  0.1585
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 La -0.2871  2.4523
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O   0.0106  0.0060
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 P   0.1023  0.0942
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection               ?
_computing_cell_refinement               ?
_computing_data_reduction                ?
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  P1 P 0.0154(2) 0.7436(2) 0.00593(18) Uiso 0.0105(6) 4 1 d . . .
  O1 O 0.0259(2) 0.8071(2) -0.08119(17) Uiso 0.0105(6) 4 1 d . . .
  O2 O 0.14731(9) 0.7261(3) 0.06959(7) Uiso 0.0224(2) 4 1 d . . .
  O3 O -0.03813(9) 0.6243(3) -0.01962(6) Uiso 0.0126(2) 4 1 d . . .
  O4 O -0.06651(8) 0.8053(4) 0.06021(7) Uiso 0.01468(18) 4 1 d . . .
  P2 P 0.74173(9) 0.4864(3) 0.37212(6) Uiso 0.0115(2) 4 1 d . . .
  O5 O 0.85354(18) 0.48100(18) 0.33591(13) Uiso 0.0151(5) 4 1 d . . .
  O6 O 0.7506(2) 0.5273(2) 0.47293(16) Uiso 0.0212(5) 4 1 d . . .
  O7 O 0.7278(6) 0.3550(3) 0.3708(6) Uiso 0.0179(11) 4 1 d . . .
  O8 O 0.6226(17) 0.5367(12) 0.3044(12) Uiso 0.019(3) 4 1 d . . .
  Cl1 Cl 0.4447(17) 0.3009(15) 0.2083(12) Uiso 0.027(3) 4 1 d . . .
  Cl2 Cl 0.3192(14) 0.5755(11) 0.1485(10) Uiso 0.028(3) 4 1 d . . .
  La1 La 0.1580(19) 0.2405(13) 0.2355(13) Uiso 0.011(3) 4 1 d . . .
  La2 La 0.6701(4) 0.2381(6) 0.0034(3) Uiso 0.0090(13) 4 1 d . . .
  La3 La 0.4274(14) 0.4978(12) 0.3654(9) Uiso 0.008(3) 4 1 d . . .
  La4 La 0.9082(17) 0.0030(11) 0.1350(12) Uiso 0.006(4) 4 1 d . . .
  La5 La 0.5757(18) 0.5012(13) 0.1263(11) Uiso 0.007(3) 4 1 d . . .
  La6 La 0.9168(18) 0.5027(12) 0.1134(12) Uiso 0.007(3) 4 1 d . . .
  La7 La 0.1664(6) 0.7673(5) 0.2411(4) Uiso 0.0032(12) 4 1 d . . .
  La8 La 0.6785(7) 0.7562(5) 0.0092(5) Uiso 0.0056(12) 4 1 d . . .
  O9 O 0.268(3) 0.632(2) 0.354(2) Uiso 0.010(6) 4 1 d . . .
  O10 O 0.7478(17) 0.3832(16) 0.1225(14) Uiso 0.001(4) 4 1 d . . .
  O11 O 0.508(3) 0.8784(8) -0.002(2) Uiso 0.009(3) 4 1 d . . .
  O12 O 0.747(2) 0.630(2) 0.1293(17) Uiso 0.016(7) 4 1 d . . .
  O13 O 0.502(3) 0.3725(8) 0.006(2) Uiso 0.008(3) 4 1 d . . .
  O14 O 0.740(2) -0.125(2) 0.143(2) Uiso 0.009(6) 4 1 d . . .
  O15 O 0.009(3) 0.384(2) 0.233(2) Uiso 0.018(6) 4 1 d . . .
  O16 O 0.0097(17) 0.6315(16) 0.2313(14) Uiso 0.000(4) 4 1 d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  P1 O1 . . 1.518(4) ?
  P1 O2 . . 1.547(2) ?
  P1 O3 . . 1.534(4) ?
  P1 O4 . . 1.533(4) ?
  O1 O2 . . 2.494(3) ?
  O1 O3 . . 2.504(4) ?
  O1 O4 . . 2.542(3) ?
  O1 La1 . 3_565 2.719(17) ?
  O1 La4 . 3_665 2.538(15) ?
  O1 O16 . 4_564 2.83(2) ?
  O2 O3 . . 2.464(3) ?
  O2 O4 . . 2.518(3) ?
  O2 O7 . 2_655 2.096(6) ?
  O2 Cl2 . . 2.654(14) ?
  O2 La2 . 3_665 2.550(5) ?
  O2 La7 . . 2.538(7) ?
  O3 O4 . . 2.491(5) ?
  O3 La6 . 1_455 2.577(18) ?
  O3 La6 . 3_665 2.622(19) ?
  O4 O6 . 4_464 2.894(4) ?
  O4 La4 . 1_465 2.620(15) ?
  O4 La8 . 1_455 2.800(7) ?
  O4 O14 . 1_465 2.84(3) ?
  P2 O5 . . 1.466(2) ?
  P2 O6 . . 1.546(3) ?
  P2 O7 . . 1.553(6) ?
  P2 O8 . . 1.565(16) ?
  O5 O6 . . 2.613(3) ?
  O5 O7 . . 2.181(7) ?
  O5 O8 . . 2.571(19) ?
  O5 La4 . 2_755 2.582(19) ?
  O5 La7 . 2_645 2.747(6) ?
  O5 O15 . 1_655 2.80(3) ?
  O6 O7 . . 2.503(6) ?
  O6 O8 . . 2.549(16) ?
  O6 La4 . 4_555 2.620(16) ?
  O6 La8 . 4_565 2.761(7) ?
  O6 O14 . 4_555 2.80(3) ?
  O7 O8 . . 2.517(15) ?
  O7 La2 . 4_555 2.463(10) ?
  O7 La7 . 2_645 2.474(11) ?
  O8 La3 . . 2.58(3) ?
  O8 La5 . . 2.59(2) ?
  La1 O12 . 2_645 2.40(3) ?
  La1 O14 . 2_655 2.45(3) ?
  La1 O15 . . 2.36(3) ?
  La1 O16 . 2_545 2.40(3) ?
  La2 O9 . 2_645 2.40(3) ?
  La2 O10 . . 2.451(19) ?
  La2 O11 . 3_665 2.40(3) ?
  La2 O13 . . 2.45(3) ?
  La3 O9 . . 2.35(3) ?
  La3 O11 . 2_645 2.42(3) ?
  La3 O11 . 4_565 2.43(3) ?
  La3 O14 . 2_655 2.33(3) ?
  La4 O9 . 2_645 2.51(3) ?
  La4 O14 . . 2.43(3) ?
  La4 O15 . 2_645 2.39(3) ?
  La4 O16 . 2_645 2.48(2) ?
  La5 O10 . . 2.37(3) ?
  La5 O12 . . 2.43(3) ?
  La5 O13 . . 2.33(3) ?
  La5 O13 . 3_665 2.44(3) ?
  La6 O10 . . 2.37(3) ?
  La6 O12 . . 2.46(3) ?
  La6 O15 . 1_655 2.29(3) ?
  La6 O16 . 1_655 2.35(2) ?
  La7 O9 . . 2.38(3) ?
  La7 O10 . 2_655 2.43(2) ?
  La7 O15 . 2_555 2.48(3) ?
  La7 O16 . . 2.34(2) ?
  La8 O11 . . 2.35(3) ?
  La8 O12 . . 2.29(3) ?
  La8 O13 . 3_665 2.48(3) ?
  La8 O14 . 1_565 2.38(3) ?
  O9 O10 . 2_655 2.98(3) ?
  O9 O11 . 4_565 2.98(4) ?
  O9 O16 . . 2.99(3) ?
  O10 O12 . . 2.91(3) ?
  O10 O13 . . 2.85(3) ?
  O10 O15 . 1_655 2.95(3) ?
  O11 O11 . 3_675 2.869(14) ?
  O11 O13 . 3_665 2.955(14) ?
  O11 O14 . 1_565 2.91(4) ?
  O12 O13 . 3_665 2.99(4) ?
  O12 O14 . 1_565 2.88(4) ?
  O12 O16 . 1_655 2.93(3) ?
  O14 O15 . 2_645 2.94(4) ?
  O15 O16 . . 2.91(3) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  O1 P1 O2 . . . 108.93(19) ?
  O1 P1 O3 . . . 110.29(18) ?
  O1 P1 O4 . . . 112.9(2) ?
  O1 P1 O7 . . 2_655 92.21(18) ?
  O2 P1 O3 . . . 106.2(2) ?
  O2 P1 O4 . . . 109.68(17) ?
  O2 P1 O7 . . 2_655 31.38(17) ?
  O3 P1 O4 . . . 108.6(2) ?
  O3 P1 O7 . . 2_655 137.58(15) ?
  O4 P1 O7 . . 2_655 93.70(18) ?
  O2 P2 O5 2_645 . . 76.32(16) ?
  O2 P2 O6 2_645 . . 96.00(15) ?
  O2 P2 O7 2_645 . . 28.1(2) ?
  O2 P2 O8 2_645 . . 135.5(6) ?
  O5 P2 O6 . . . 120.33(14) ?
  O5 P2 O7 . . . 92.4(4) ?
  O5 P2 O8 . . . 116.0(7) ?
  O6 P2 O7 . . . 107.8(4) ?
  O6 P2 O8 . . . 110.1(7) ?
  O7 P2 O8 . . . 107.7(6) ?

loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST


