Crystal structure of europium arsenate, EuAsO4 169
Sylvia Golbs; Raul Cardoso-Gil; Marcus Schmidt; Zeitschrift für Kristallographie - New Crystal Structures 224 (2009) 169–; doi:

data_8103016
_publ_section_title
;
 Crystal structure of europium arsenate, EuAsO4 169
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              169
_journal_volume                  224
_journal_year                    2009
_chemical_formula_moiety         EuAsO~4~
_chemical_formula_sum            'As Eu O4'
_chemical_formula_weight         290.88
_chemical_name_common            'europium arsenate'
_chemical_name_systematic        europiumarsenate(V)
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2009-02-25 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.1617(2)
_cell_length_b                   7.1617(2)
_cell_length_c                   6.3750(2)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      99.97
_cell_measurement_theta_min      19.00
_cell_volume                     326.973(16)
_computing_cell_refinement       'WinCSD, [3]'
_computing_data_collection       'Crystal Clear 1.3.6 SP3, Rigaku Inc., 2005'
_computing_data_reduction        'Crystal Clear 1.3.6 SP3, Rigaku Inc., 2005'
_computing_molecular_graphics    'DIAMOND, 2.1e, K. Brandenburg, 1998 [10]'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997) [8]'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997) [7]'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
scan:
        Number of images: 30
            Slice: 75.0000 - 135.0000
      Image width: 2.0000
         Exp time: 1200.0000
    Rotation axis: Omega
            Omega: 0.0000
              Chi: 5.0000
              Phi: 0.0000
              XTD: 127.4000
           2theta: 0.0000
scan:
 Number of images: 60
            Slice: 75.0000 - 195.0000
      Image width: 2.0000
         Exp time: 1200.0000
    Rotation axis: Omega
            Omega: 0.0000
              Chi: 30.0000
              Phi: 300.0000
              XTD: 127.4000
           2theta: 0.0000

;
_diffrn_measurement_device_type  'Rigaku R-AXIS Spider'
_diffrn_radiation_monochromator  'multi-layer optics'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56088
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0143
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4019
_diffrn_reflns_theta_full        40.68
_diffrn_reflns_theta_max         40.68
_diffrn_reflns_theta_min         3.38
_diffrn_source_current           20
_diffrn_source_power             1.2
_diffrn_source_voltage           60
_exptl_absorpt_coefficient_mu    15.405
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8385
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.909
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.037
_exptl_crystal_size_min          0.033
_refine_diff_density_max         1.637
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.252
_refine_ls_extinction_coef       0.0043(3)
_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   1.146
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_reflns         590
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0175
_refine_ls_R_factor_gt           0.0149
_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^)+(0.0111P)^2^+0.4431P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0305
_refine_ls_wR_factor_ref         0.0311
_reflns_number_gt                511
_reflns_number_total             590
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409995.cff
_cod_data_source_block           sg_725euaso4
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Eu As O4'
_cod_database_code               8103016