Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)
Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev; Inorganic Chemistry 50 (2011) 8020–8027; doi:10.1021/ic200286t

data_4326004
_publ_section_title
;
 Synthesis, Crystal and Electronic Structures, and Properties of the New
 Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8020
_journal_page_last               8027
_journal_paper_doi               10.1021/ic200286t
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'As2 Cd Sr2'
_chemical_formula_weight         437.48
_chemical_name_systematic
; 
 ? 
;
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_computing_cell_refinement       'APEX2 Software Suite (Bruker,2005)'
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_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
'Bruker APEX2 CCD area-detector diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_description       Needle
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_exptl_crystal_size_mid          0.02
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_extinction_coef       0.00288(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_matrix_type           full
_refine_ls_number_parameters     33
_refine_ls_number_reflns         690
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0238
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                646
_reflns_number_total             690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200286t_si_001_4.cif
_cod_data_source_block           4
_cod_original_cell_volume        570.31(15)
_cod_original_sg_symbol_H-M      'C m c 21 '
_cod_database_code               4326004