Framework structures of interconnected layers in calcium iron arsenides.
Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk; Inorganic chemistry 53 (2014) 6235–6240; doi:10.1021/ic5007567

data_4338678
_publ_section_title
;
 Framework structures of interconnected layers in calcium iron arsenides.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6235
_journal_page_last               6240
_journal_paper_doi               10.1021/ic5007567
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'As3 Ca Fe5'
_chemical_formula_weight         544.1
_chemical_name_common            153
_chemical_name_systematic        'calcium iron arsenide'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
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_audit_creation_method
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'manual edited cif-file of Jana2006 Version : 03/05/2011'
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_cell_angle_gamma                90
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_cell_length_b                   3.8149(3)
_cell_length_c                   9.7577(8)
_cell_measurement_temperature    293(2)
_cell_volume                     266.04(4)
_computing_molecular_graphics    'DIAMOND 3.1b (Brandenburg, 2006)'
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_computing_structure_refinement
;
'Jana2006 Version : 03/05/2011 (Petricek, Dusek, Palatinus, 2006)'
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_computing_structure_solution
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'Jana2006 Version : 03/05/2011 (Petricek, Dusek, Palatinus, 2006)'
;
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device
;
'three-cycle diffractometer with CCD detector'
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_diffrn_measurement_device_type  'Bruker Quest'
_diffrn_radiation_monochromator  graphite
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;
'SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction'  
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_exptl_crystal_colour            black
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'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
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_cod_data_source_file            ic5007567_si_001.cif
_cod_data_source_block           cafe5as3
_cod_depositor_comments
'Adding full bibliography for 4338677--4338684.cif.'
_cod_original_formula_sum        'As3 Ca1 Fe5'
_cod_database_code               4338678