β-Bi4(P2Se6)3: A New Ternary Selenophosphate Obtained in a P2Se5 Flux
Jennifer A. Aitken; Shannon Brown; Konstantinos Chondroudis; Stéphane Jobic; Raymond Brec; Mercouri G. Kanatzidis; Inorganic Chemistry 38 (1999) 4795–4800; doi:10.1021/ic990180h

data_4322304
_publ_section_title
;
 \b-Bi4(P2Se6)3: A New Ternary Selenophosphate Obtained in a P2Se5 Flux
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4795
_journal_page_last               4800
_journal_paper_doi               10.1021/ic990180h
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'Bi4 P6 Se18'
_chemical_formula_weight         2443
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.493(6)
_cell_angle_beta                 94.133(6)
_cell_angle_gamma                91.163(6)
_cell_formula_units_Z            2
_cell_length_a                   12.2303(8)
_cell_length_b                   6.7640(4)
_cell_length_c                   17.866(1)
_cell_measurement_radiation      MoK\a
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.79
_cell_measurement_theta_min      1.95
_cell_measurement_wavelength     0.71073
_cell_volume                     1473.76(15)
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       Rotation
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0913
_diffrn_reflns_av_sigmaI/netI    0.1256
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17396
_diffrn_reflns_theta_max         27.79
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    47.992
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_meas      5.504
_exptl_crystal_F_000             2068
_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.016
_exptl_crystal_size_min          0.016
_refine_diff_density_max         2.57
_refine_diff_density_min         -2.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.71
_refine_ls_goodness_of_fit_obs   0.71
_refine_ls_number_parameters     263
_refine_ls_number_reflns         2223
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/esd_max         0.0004
_refine_ls_shift/esd_mean        0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0009F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0427
_refine_ls_wR_factor_gt          0.0427
_reflns_limit_h_max              15
_reflns_limit_h_min              -16
_reflns_limit_k_max              8
_reflns_limit_k_min              -8
_reflns_limit_l_max              22
_reflns_limit_l_min              0
_reflns_number_observed          2223
_reflns_number_total             2223
_reflns_observed_criterion       3
_cod_data_source_file            ic990180h.cif
_cod_data_source_block           Bi4P6Se12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1673 2011-04-08 12:14:43Z adriana 
;
_cod_original_cell_volume        1473.8(2)
_cod_database_code               4322304
_cod_database_fobs_code          4322304