Synthesis and crystal structure of Ln2M2+Ge4O12, Ln=rare-earth element or Y; M=Ca, Mn, Zn
Zubkov, Vladimir G.; Tarakina, Nadezda V.; Leonidov, Ivan I.; Tyutyunnik, Alexander P.; Surat, Ludmila L.; Melkozerova, Marina A.; Zabolotskaya, Elena V.; Kellerman, Dina G.; Journal of Solid State Chemistry 183 (2010) 1186–1193; doi:10.1016/j.jssc.2010.03.027

data_1563641
_publ_section_title
;
 Synthesis and crystal structure of Ln2M2+Ge4O12, Ln=rare-earth element or
 Y; M=Ca, Mn, Zn
;
_journal_issue                   5
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1186
_journal_page_last               1193
_journal_paper_doi               10.1016/j.jssc.2010.03.027
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'Ge2 O7 Y2'
_chemical_formula_weight         434.99
_space_group_IT_number           92
_space_group_name_Hall           'P 4abw 2nw'
_space_group_name_H-M_alt        'P 41 21 2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.80399(25)
_cell_length_b                   6.80399
_cell_length_c                   12.3755(8)
_cell_volume                     572.91(4)
_diffrn_radiation_polarisn_ratio 0.8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_correction_T_max  3.57673
_exptl_absorpt_correction_T_min  1.84114
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =    -0.39378         0.0000    
Correction is refined.
;
_pd_calc_method                  'Rietveld Refinement'
_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_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        119.96983
_pd_proc_2theta_range_min        4.98983
_pd_proc_info_datetime           2010-02-27T13:38:03
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    669.079     2:   -756.926     3:    510.848     4:   -237.708    
      5:    68.8286     6:    12.2526     7:   -30.8092     8:    16.8798    
      9:  -0.556239    10:   -14.6368    11:    17.6487    12:   -3.46771    
     13:   -3.17003    14:    4.04292    15:  -0.302081    16:   -7.47552    
     17:    17.1929    18:   -11.3410    19:  -0.903347    20:    14.2633    
     21:   -14.0778    22:    17.7012    23:   -9.39738    24:   0.362372    
     25:    9.50085    26:   -12.6790    27:    13.3544    28:   -8.75464    
     29:    4.41323    30:    6.80161    31:   -8.11433    32:    9.28991    
     33:   -6.43229    34:   -1.36659    35:    4.22020    36:   -3.42778    
;
_pd_proc_ls_prof_R_factor        0.0315
_pd_proc_ls_prof_wR_expected     0.0354
_pd_proc_ls_prof_wR_factor       0.0428
_pd_proc_number_of_points        5750
_refine_ls_R_Fsqd_factor         0.01859
_reflns_d_resolution_high        0.890
_reflns_d_resolution_low         6.964
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              7
_reflns_limit_k_min              0
_reflns_limit_l_max              14
_reflns_limit_l_min              0
_reflns_number_total             492
_cod_data_source_file            Y2ZNGE4O12.cif
_cod_data_source_block           Y2ZNGE4O12_phase_2
_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 (47 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 (32 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        572.91(5)
_cod_database_code               1563641
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000