A new modification of NaCoPO~4~ with the zeolite ABW structure
Chippindale, Ann M.; Cowley, Andrew R.; Chen, Jiesheng; Gao, Qiuming; Xu, Ruren; Acta Crystallographica Section C 55 (1999) 845–847; doi:10.1107/S010827019900414X

data_2008540
_publ_section_title
;
 A new modification of NaCoPO~4~ with the zeolite ABW structure
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              845
_journal_page_last               847
_journal_paper_doi               10.1107/S010827019900414X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'Na1 Co1 P1 O4'
_chemical_formula_moiety         'Co1 Na1 O4 P1'
_chemical_formula_sum            'Co Na O4 P'
_chemical_formula_weight         176.89
_chemical_name_systematic
;
sodium cobalt(II) phosphate
;
_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                 90.210(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2210(10)
_cell_length_b                   9.9830(10)
_cell_length_c                   7.3880(10)
_cell_measurement_reflns_used    3378
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      3.43
_cell_volume                     385.07(10)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1996)'
_computing_data_collection
'XPRESS (MacScience, 1989) in DIP2000 software'
_computing_data_reduction        DENZO
_computing_molecular_graphics    'ATOMS for Windows (Dowty, 1997)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device       'Enraf-Nonius DIP2000'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            793
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         3.43
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.83
_exptl_absorpt_correction_T_max  0.484
_exptl_absorpt_correction_T_min  0.326
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Otwinowski & Minor, 1996)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    3.05
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             341.75
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       59(4)
_refine_ls_extinction_method     '(Larson, 1967)'
_refine_ls_goodness_of_fit_obs   1.0847
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     65
_refine_ls_number_reflns         683
_refine_ls_R_factor_obs          .0182
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial (Carruthers & Watkin, 1979) with three parameters
(2.31, -0.837, 1.90)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0200
_reflns_number_observed          683
_reflns_number_total             752
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            br1238.cif
_cod_data_source_block           br1238
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        385.07
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'Co1 Na1 O4 P1'
_cod_database_code               2008540