Synthesis, crystal structure and luminescence properties of CaY2−xEuxGe3O10 (x=0‒2)
Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Tyutyunnik, Alexander P.; Leonidov, Ivan I.; Zubkov, Vladimir G.; Journal of Solid State Chemistry 206 (2013) 117–121; doi:10.1016/j.jssc.2013.08.002

data_1562528
_publ_section_title
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 Synthesis, crystal structure and luminescence properties of
 CaY2&#x2212;xEuxGe3O10 (x=0--2)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              117
_journal_page_last               121
_journal_paper_doi               10.1016/j.jssc.2013.08.002
_journal_volume                  206
_journal_year                    2013
_chemical_formula_structural     'Ca Y2 Ge3 O10'
_chemical_formula_sum            'Ca Ge3 O10 Y2'
_chemical_formula_weight         595.73
_chemical_name_common            'Calcium Yttrium Germanium Oxide'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 108.9988(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.90763(6)
_cell_length_b                   6.84276(5)
_cell_length_c                   18.75830(16)
_cell_measurement_temperature    298(2)
_cell_volume                     838.353(12)
_computing_data_collection
'STOE Powder Software Package (STOE, Germany)'
_computing_data_reduction
'STOE Powder Software Package (STOE, Germany)'
_computing_structure_refinement  GSAS
_computing_structure_solution
'GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)'
_diffrn_ambient_temperature      298
_diffrn_detector                 'position sensitive detector'
_diffrn_detector_type            'linear mini-PSD (STOE)'
_diffrn_measurement_device_type  'transmission diffractometer Stadi-P (STOE)'
_diffrn_radiation_monochromator  'Primary, curved Ge 111'
_diffrn_radiation_polarisn_ratio 0.8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_diffrn_source_type              'PHILIPS PW 2283/20'
_exptl_absorpt_correction_T_max  0.90674
_exptl_absorpt_correction_T_min  0.81417
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =     0.63294E-01     0.0000    
Correction is refined.
;
_exptl_crystal_density_diffrn    4.720
_exptl_crystal_density_method    'not measured'
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  white
_pd_instr_dist_mono/spec         130
_pd_instr_dist_spec/detc         220
_pd_instr_dist_src/mono          260
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        119.98
_pd_meas_2theta_range_min        5.0
_pd_meas_number_of_points        5750
_pd_meas_scan_method             step
_pd_phase_name
'from C:/GSAS/MyWork/Tarasova/CaY2-xEuxGe3O10/CaY1_7Eu0_3Ge3O10/CAY'
_pd_prep_temperature             1523
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        119.96387
_pd_proc_2theta_range_min        4.98388
_pd_proc_info_datetime           2013-04-08T13:00:30
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    1024.91     2:   -1231.75     3:    752.556     4:   -389.546    
      5:    136.074     6:   -16.2853     7:   -36.1180     8:    39.8924    
      9:   -20.4540    10:    1.19239    11:    9.22609    12:   -3.57224    
     13:    11.8005    14:   -6.32328    15:   -3.45968    16:    15.8987    
     17:   -10.4234    18:    13.0413    19:   -2.50860    20:    4.47481    
     21:   -1.00953    22:    8.89222    23:   -6.95901    24:    13.6038    
     25:   -2.86783    26:   0.882761    27:    5.35627    28:   0.529078    
     29:   -1.76783    30:    7.18175    31:  -5.938500E-0332:    2.55350    
     33:   -5.52214    34:    12.8505    35:   -12.3826    36:    9.51345    
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=   1.01613  h=-1.000  k= 0.000  l= 2.000
 Prefered orientation correction range: Min=   0.95314, Max=   1.02428
;
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =   80.490 #2(GV)   =  -21.900 #3(GW)   =   20.125
 #4(LX)   =    1.000 #5(LY)   =    4.857 #6(trns) =    0.000
 #7(asym) =   1.0000 #8(shft) =   0.0000 #9(GP)   =    0.000
 #10(stec)=     0.00 #11(ptec)=     0.00 #12(sfec)=     0.00
 #13(L11) =    0.000 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =    0.000 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0368
_pd_proc_ls_prof_wR_expected     0.0251
_pd_proc_ls_prof_wR_factor       0.0498
_pd_proc_number_of_points        5750
_pd_spec_mounting                'powder on Mylar film'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              7
_pd_spec_size_equat              0.1
_refine_ls_goodness_of_fit_all   2.00
_refine_ls_matrix_type           full
_refine_ls_number_parameters     102
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.02633
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_reflns_d_resolution_high        0.890
_reflns_d_resolution_low         8.868
_reflns_limit_h_max              7
_reflns_limit_h_min              0
_reflns_limit_k_max              7
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              -21
_reflns_number_total             1244
_cod_data_source_file            CAY2GE3O10.cif
_cod_data_source_block           CAY2GE3O10_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (2 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (54 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_database_code               1562528
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000