A new sodium cobaltophosphate with a tunnel structure, ionic conductor
R. Baies; O. Pérez; V. Caignaert; V. Pralong; B. Raveau; Journal of Materials Chemistry 16 (2006) 2434–; doi:10.1039/b516383h

data_7203213
_publ_section_title
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 A new sodium cobaltophosphate with a tunnel structure, ionic conductor
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_journal_issue                   25
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2434
_journal_paper_doi               10.1039/b516383h
_journal_volume                  16
_journal_year                    2006
_chemical_formula_moiety         Na2Co8(PO4)6
_chemical_formula_sum            'Co4 Na O12 P3'
_chemical_formula_weight         543.6
_chemical_melting_point          1150
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.050(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3390(10)
_cell_length_b                   9.8670(10)
_cell_length_c                   15.300(2)
_cell_measurement_reflns_used    45
_cell_measurement_temperature    298
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     956.8(2)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 42.00
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_radiation_monochromator  C
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0988
_diffrn_reflns_av_sigmaI/netI    0.1323
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20748
_diffrn_reflns_theta_full        42.00
_diffrn_reflns_theta_max         42.00
_diffrn_reflns_theta_min         5.85
_exptl_absorpt_coefficient_mu    7.431
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    3.7727
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.19
_refine_diff_density_min         -2.15
_refine_ls_goodness_of_fit_gt    1.58
_refine_ls_goodness_of_fit_ref   1.23
_refine_ls_number_parameters     190
_refine_ls_number_reflns         6634
_refine_ls_R_factor_all          0.1669
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0471
_refine_ls_wR_factor_ref         0.0603
_reflns_number_gt                2547
_reflns_number_total             6634
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            b516383h.txt
_cod_data_source_block           (I)
_cod_depositor_comments
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The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_formula_sum        'Co4 Na1 O12 P3'
_cod_database_code               7203213