
#=======================================================================
data_global

_publ_requested_journal          'RSC Advances'

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

# 1. SUBMISSION DETAILS

_publ_contact_author_name        'Nilges, Tom'
_publ_contact_author_address     
;Technical University of Munich
Department of Chemistry 
Synthesis and Characterization of Innovative Materials
Lichtenbergstr. 4 
85747 Garching 
Germany 
;
_publ_contact_author_email       tom.nilges@lrz.tu-muenchen.de
_publ_contact_author_phone       '+49 89 289 13110'
_publ_contact_author_fax         '+49 89 289 13762'
loop_
_publ_author_name
_publ_author_address
'Ludwig, Jennifer'
;Technical University of Munich
Department of Chemistry 
Synthesis and Characterization of Innovative Materials
Lichtenbergstr. 4 
85747 Garching 
Germany      
;
'Alarcon-Suesca, Carlos Eduardo'
;Technical University of Munich
Department of Chemistry 
Synthesis and Characterization of Innovative Materials
Lichtenbergstr. 4 
85747 Garching 
Germany 
;
'Gepraegs, Stephan'
;Walther Meissner Institute
Bavarian Academy of Sciences and Humanities 
Walther-Meissner-Str. 8
85747 Garching 
Germany    
;
'Nordlund, Dennis'
;Stanford Synchrotron Radiation Lightsource
SLAC National Accelerator Laboratory
2575 Sand Hill Rd
Menlo Park, CA, 94025
USA
;
'Doeff, Marca M.'
;Lawrence Berkeley National Laboratory
Environmental Energy Technologies Division
1 Cyclotron Rd
Berkeley
CA, 94720
USA       
;
'Puente Orench, Ines'
;Institute Laue-Langevin
71 avenue des Martyrs, B.P. 156
38042 Grenoble Cedex 9
France        
;
'Nilges, Tom'
;Technical University of Munich
Department of Chemistry 
Synthesis and Characterization of Innovative Materials
Lichtenbergstr. 4 
85747 Garching 
Germany      
;

#=======================================================================
# 2. 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                       'RSC Advances'
_journal_year                            '2017'
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?
_publ_requested_category         ?

_publ_contact_letter             
; ?
;

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

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; Direct synthesis and characterization of mixed-valent Li(0.5-d)CoPO4, 
a Li-deficient derivative of the Cmcm polymorph of LiCoPO4 
;

_publ_section_title_footnote
; ?
;

# 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. (2014). Z. Kristallogr. 229(5), 345-352.

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

#=======================================================================
data_Li0.39Co0.96PO4_Li(0.5-d)CoPO4_Cmcm
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    'lithium cobalt phosphate'
_chemical_formula_moiety                 ?
_chemical_formula_structural             'Li0.39 Co0.96 P O4'
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Co0.96 Li0.39 O4 P1'
_chemical_formula_weight                 154.3
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

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

# 6. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting                   orthorhombic
_symmetry_space_group_name_H-M           'C m c m'
_symmetry_space_group_name_Hall          '-C -2x;-2yc;-2zc'
_symmetry_Int_Tables_number              63

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,-y,z+1/2
 3   -x,y,-z+1/2
 4   x,-y,-z
 5   -x,-y,-z
 6   x,y,-z+1/2
 7   x,-y,z+1/2
 8   -x,y,z
 9   x+1/2,y+1/2,z
 10  -x+1/2,-y+1/2,z+1/2
 11  -x+1/2,y+1/2,-z+1/2
 12  x+1/2,-y+1/2,-z
 13  -x+1/2,-y+1/2,-z
 14  x+1/2,y+1/2,-z+1/2
 15  x+1/2,-y+1/2,z+1/2
 16  -x+1/2,y+1/2,z

_cell_length_a                           5.3385(2)
_cell_length_b                           8.1763(3)
_cell_length_c                           6.3716(2)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             278.116(19)


_cell_formula_units_Z                    4
_cell_measurement_temperature            298
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            3.684
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     297

_pd_spec_size_axial                      ?
_pd_spec_size_equat                      ?
_pd_spec_size_thick                      ?
_pd_spec_mounting                        'sealed 0.5 mm capillary'
_pd_spec_mount_mode                      transmission
_pd_spec_shape                           cylinder
_pd_char_particle_morphology             'powder'
_pd_char_colour                          'light pink'
_pd_prep_cool_rate                       ?
_pd_prep_pressure                        ?
_pd_prep_temperature                     ?

_exptl_absorpt_coefficient_mu            6.282
_exptl_absorpt_correction_type           'cylinder'
_exptl_absorpt_process_details           'Cromer, D. T.; Liberman, D. A., Acta Crystallogr., Sect. A 1981, A37, (2), 267-268.'
_exptl_absorpt_correction_T_min          ?
_exptl_absorpt_correction_T_max          ?
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

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

# 7. EXPERIMENTAL DATA

_exptl_special_details                   'polyol synthesis'
_pd_instr_location
;Technical University of Munich
Department of Chemistry 
Lichtenbergstr. 4 
85747 Garching 
Germany 
;
_pd_calibration_special_details
; external silicon standard
;

_diffrn_ambient_temperature              298
_diffrn_source                           ?
_diffrn_source_target                    ?
_diffrn_source_type                      ?
_diffrn_radiation_type                   'Mo K\a1'
_diffrn_radiation_wavelength             0.70930
_diffrn_radiation_monochromator          'Ge(111)'
_diffrn_measurement_device               'X-ray powder diffractometer'
_diffrn_measurement_device_type          'Stoe STADI P'
_diffrn_detector                         'linear PSD'
_diffrn_detector_type                    'Dectris MYTHEN DCS 1K'

_pd_meas_scan_method                     step
_pd_meas_special_details
; ?
;
_pd_meas_number_of_points                3800
_pd_meas_2theta_range_min                3.030
_pd_meas_2theta_range_max                60.015
_pd_meas_2theta_range_inc                0.015

_diffrn_radiation_probe                  X-ray

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

# 8. REFINEMENT DATA

_pd_proc_ls_special_details
; ?
;
_pd_proc_ls_profile_function             'Pseudo-Voigt'
_pd_proc_ls_background_function          '35 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr             none
_pd_proc_ls_prof_R_factor                0.0257
_pd_proc_ls_prof_wR_factor               0.0327
_pd_proc_ls_prof_wR_expected             0.0267

_refine_special_details
; Li positions and thermal displacement parameters have been kept fixed,
free refinement of the site occupancy factors on the Li and Co sites
;

_refine_ls_R_factor_gt                   0.0143
_refine_ls_wR_factor_gt                  0.0172
_refine_ls_R_factor_all                  0.0143
_refine_ls_wR_factor_all                 0.0172
_refine_ls_goodness_of_fit_all           1.23
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_parameters             59
_refine_ls_number_restraints             0
_refine_ls_number_constraints            0
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             ?
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0151
_refine_ls_shift/su_mean                 0.0012
_refine_diff_density_max                 ?
_refine_diff_density_min                 ?
_refine_ls_extinction_method             ?
_refine_ls_extinction_coef               ?

_pd_proc_2theta_range_min                3.03
_pd_proc_2theta_range_max                60.015
_pd_proc_2theta_range_inc                0.015
_pd_proc_wavelength                      ?

_pd_block_diffractogram_id               Li0.39Co0.96PO4_Cmcm

_pd_proc_info_excluded_regions           ?
_pd_proc_info_data_reduction             ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Co   0.3505  0.9773
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Li   0.0000  0.0001
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.0113  0.0062
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 P    0.1037  0.0957
 '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_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Li1 Li 0 0.675 0.25 Uiso 0.019 4 0.39(2) d . . .
  Co1 Co 0 0 0 Uiso 0.0133(6) 4 0.964(5) d . . .
  P1 P 0 0.3565(3) 0.25 Uiso 0.0152(9) 4 1 d . . .
  O1 O 0 0.2495(4) 0.0497(8) Uiso 0.0237(16) 8 1 d . . .
  O2 O 0.2355(6) 0.4633(4) 0.25 Uiso 0.0101(13) 8 1 d . . .


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

# 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
  Li1 O1 . 2_565 2.007(5) ?
  Li1 O1 . 4_565 2.007(5) ?
  Li1 O2 . . 2.140(3) ?
  Li1 O2 . 3_555 2.140(3) ?
  Co1 O1 . . 2.065(3) ?
  Co1 O1 . 4_555 2.065(3) ?
  Co1 O2 . 9_445 2.150(2) ?
  Co1 O2 . 10_554 2.150(2) ?
  Co1 O2 . 11_545 2.150(2) ?
  Co1 O2 . 12_455 2.150(2) ?
  P1 O1 . . 1.547(5) ?
  P1 O1 . 3_555 1.547(5) ?
  P1 O2 . . 1.531(4) ?
  P1 O2 . 3_555 1.531(4) ?

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 Li1 O1 2_565 . 4_565 144.18(14) ?
  O1 Li1 O2 2_565 . . 104.41(8) ?
  O1 Li1 O2 2_565 . 3_555 104.41(8) ?
  O1 Li1 O2 4_565 . . 104.41(8) ?
  O1 Li1 O2 4_565 . 3_555 104.41(8) ?
  O2 Li1 O2 . . 3_555 71.98(12) ?
  O1 Co1 O1 . . 4_555 180.0(5) ?
  O1 Co1 O2 . . 9_445 91.40(14) ?
  O1 Co1 O2 . . 10_554 88.60(14) ?
  O1 Co1 O2 . . 11_545 91.40(14) ?
  O1 Co1 O2 . . 12_455 88.60(14) ?
  O1 Co1 O2 4_555 . 9_445 88.60(14) ?
  O1 Co1 O2 4_555 . 10_554 91.40(14) ?
  O1 Co1 O2 4_555 . 11_545 88.60(14) ?
  O1 Co1 O2 4_555 . 12_455 91.40(14) ?
  O2 Co1 O2 9_445 . 10_554 180.0(5) ?
  O2 Co1 O2 9_445 . 11_545 82.12(9) ?
  O2 Co1 O2 9_445 . 12_455 97.88(9) ?
  O2 Co1 O2 10_554 . 11_545 97.88(9) ?
  O2 Co1 O2 10_554 . 12_455 82.12(9) ?
  O2 Co1 O2 11_545 . 12_455 180.0(5) ?
  O1 P1 O1 . . 3_555 111.2(3) ?
  O1 P1 O2 . . . 108.81(9) ?
  O1 P1 O2 . . 3_555 108.81(9) ?
  O1 P1 O2 3_555 . . 108.81(9) ?
  O1 P1 O2 3_555 . 3_555 108.81(9) ?
  O2 P1 O2 . . 3_555 110.4(3) ?


#===END


#=======================================================================
data_Li0.94Co0.96PO4_Li(1-y)CoPO4_Cmcm
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    'lithium cobalt phosphate'
_chemical_formula_moiety                 ?
_chemical_formula_structural             'Li0.94 Co0.96 P O4'
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Co0.96 Li0.94 O4 P1'
_chemical_formula_weight                 158.1
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

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

# 6. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting                   orthorhombic
_symmetry_space_group_name_H-M           'C m c m'
_symmetry_space_group_name_Hall          '-C -2x;-2yc;-2zc'
_symmetry_Int_Tables_number              63

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,-y,z+1/2
 3   -x,y,-z+1/2
 4   x,-y,-z
 5   -x,-y,-z
 6   x,y,-z+1/2
 7   x,-y,z+1/2
 8   -x,y,z
 9   x+1/2,y+1/2,z
 10  -x+1/2,-y+1/2,z+1/2
 11  -x+1/2,y+1/2,-z+1/2
 12  x+1/2,-y+1/2,-z
 13  -x+1/2,-y+1/2,-z
 14  x+1/2,y+1/2,-z+1/2
 15  x+1/2,-y+1/2,z+1/2
 16  -x+1/2,y+1/2,z

_cell_length_a                           5.4432(3)
_cell_length_b                           8.1695(4)
_cell_length_c                           6.2128(3)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             276.28(2)


_cell_formula_units_Z                    4
_cell_measurement_temperature            298
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            3.8003
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     302

_pd_spec_size_axial                      ?
_pd_spec_size_equat                      ?
_pd_spec_size_thick                      ?
_pd_spec_mounting                        'sealed 0.5 mm capillary'
_pd_spec_mount_mode                      transmission
_pd_spec_shape                           cylinder
_pd_char_particle_morphology             'powder'
_pd_char_colour                          'light pink'
_pd_prep_cool_rate                       ?
_pd_prep_pressure                        ?
_pd_prep_temperature                     ?

_exptl_absorpt_coefficient_mu            6.325
_exptl_absorpt_correction_type           'cylinder'
_exptl_absorpt_process_details           'Cromer, D. T.; Liberman, D. A., Acta Crystallogr., Sect. A 1981, A37, (2), 267-268.'
_exptl_absorpt_correction_T_min          ?
_exptl_absorpt_correction_T_max          ?
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

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

# 7. EXPERIMENTAL DATA

_exptl_special_details                   'polyol synthesis'
_pd_instr_location
;Technical University of Munich
Department of Chemistry 
Lichtenbergstr. 4 
85747 Garching 
Germany 
;
_pd_calibration_special_details
; external silicon standard
;

_diffrn_ambient_temperature              298
_diffrn_source                           ?
_diffrn_source_target                    ?
_diffrn_source_type                      ?
_diffrn_radiation_type                   'Mo K\a1'
_diffrn_radiation_wavelength             0.70930
_diffrn_radiation_monochromator          'Ge(111)'
_diffrn_measurement_device               'X-ray powder diffractometer'
_diffrn_measurement_device_type          'Stoe STADI P'
_diffrn_detector                         'linear PSD'
_diffrn_detector_type                    'Dectris MYTHEN DCS 1K'

_pd_meas_scan_method                     step
_pd_meas_special_details
; ?
;
_pd_meas_number_of_points                3835
_pd_meas_2theta_range_min                3.004
_pd_meas_2theta_range_max                60.049
_pd_meas_2theta_range_inc                0.015

_diffrn_radiation_probe                  X-ray

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

# 8. REFINEMENT DATA

_pd_proc_ls_special_details
; ?
;
_pd_proc_ls_profile_function             'Pseudo-Voigt'
_pd_proc_ls_background_function          '35 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr             none
_pd_proc_ls_prof_R_factor                0.0196
_pd_proc_ls_prof_wR_factor               0.0255
_pd_proc_ls_prof_wR_expected             0.0252

_refine_special_details
; Li positions and thermal displacement parameters have been kept fixed,
free refinement of the site occupancy factors on the Li and Co sites
;

_refine_ls_R_factor_gt                   0.0106
_refine_ls_wR_factor_gt                  0.0121
_refine_ls_R_factor_all                  0.0106
_refine_ls_wR_factor_all                 0.0121
_refine_ls_goodness_of_fit_all           1.01
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_parameters             57
_refine_ls_number_restraints             0
_refine_ls_number_constraints            0
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             ?
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0398
_refine_ls_shift/su_mean                 0.0042
_refine_diff_density_max                 ?
_refine_diff_density_min                 ?
_refine_ls_extinction_method             ?
_refine_ls_extinction_coef               ?

_pd_proc_2theta_range_min                3.004
_pd_proc_2theta_range_max                60.049
_pd_proc_2theta_range_inc                0.015
_pd_proc_wavelength                      ?

_pd_block_diffractogram_id               Li0.94Co0.96PO4_Cmcm

_pd_proc_info_excluded_regions           ?
_pd_proc_info_data_reduction             ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Co   0.3505  0.9773
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Li   0.0000  0.0001
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.0113  0.0062
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 P    0.1037  0.0957
 '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_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Li1 Li 0 0.675 0.25 Uiso 0.019 4 0.94(2) d . . .
  Co1 Co 0 0 0 Uiso 0.0091(5) 4 0.955(5) d . . .
  P1 P 0 0.3525(3) 0.25 Uiso 0.0097(8) 4 1 d . . .
  O1 O 0 0.2468(3) 0.0477(7) Uiso 0.0096(13) 8 1 d . . .
  O2 O 0.2273(5) 0.4667(5) 0.25 Uiso 0.0072(12) 8 1 d . . .


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

# 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
  Li1 O1 . 2_565 1.957(4) ?
  Li1 O1 . 4_565 1.957(4) ?
  Li1 O2 . . 2.104(3) ?
  Li1 O2 . 3_555 2.104(3) ?
  Co1 O1 . . 2.038(3) ?
  Co1 O1 . 4_555 2.038(3) ?
  Co1 O2 . 9_445 2.166(2) ?
  Co1 O2 . 10_554 2.166(2) ?
  Co1 O2 . 11_545 2.166(2) ?
  Co1 O2 . 12_455 2.166(2) ?
  P1 O1 . . 1.525(4) ?
  P1 O1 . 3_555 1.525(4) ?
  P1 O2 . . 1.550(4) ?
  P1 O2 . 3_555 1.550(4) ?

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 Li1 O1 2_565 . 4_565 141.87(12) ?
  O1 Li1 O2 2_565 . . 105.32(7) ?
  O1 Li1 O2 2_565 . 3_555 105.32(7) ?
  O1 Li1 O2 4_565 . . 105.32(7) ?
  O1 Li1 O2 4_565 . 3_555 105.32(7) ?
  O2 Li1 O2 . . 3_555 72.03(12) ?
  O1 Co1 O1 . . 4_555 180.0(5) ?
  O1 Co1 O2 . . 9_445 91.14(13) ?
  O1 Co1 O2 . . 10_554 88.86(13) ?
  O1 Co1 O2 . . 11_545 91.14(13) ?
  O1 Co1 O2 . . 12_455 88.86(13) ?
  O1 Co1 O2 4_555 . 9_445 88.86(13) ?
  O1 Co1 O2 4_555 . 10_554 91.14(13) ?
  O1 Co1 O2 4_555 . 11_545 88.86(13) ?
  O1 Co1 O2 4_555 . 12_455 91.14(13) ?
  O2 Co1 O2 9_445 . 10_554 180.0(5) ?
  O2 Co1 O2 9_445 . 11_545 86.55(8) ?
  O2 Co1 O2 9_445 . 12_455 93.45(8) ?
  O2 Co1 O2 10_554 . 11_545 93.45(8) ?
  O2 Co1 O2 10_554 . 12_455 86.55(8) ?
  O2 Co1 O2 11_545 . 12_455 180.0(5) ?
  O1 P1 O1 . . 3_555 111.0(2) ?
  O1 P1 O2 . . . 109.94(9) ?
  O1 P1 O2 . . 3_555 109.94(9) ?
  O1 P1 O2 3_555 . . 109.94(9) ?
  O1 P1 O2 3_555 . 3_555 109.94(9) ?
  O2 P1 O2 . . 3_555 105.9(2) ?


#===END