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_1563634
_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 Lu2 O7'
_chemical_formula_weight         607.11
_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                   6.72791(21)
_cell_length_b                   6.72791
_cell_length_c                   12.2192(6)
_cell_volume                     553.10(3)
_diffrn_radiation_polarisn_ratio 0.8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_correction_T_max  3.73470
_exptl_absorpt_correction_T_min  1.86897
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =    -0.40345         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        119.95322
_pd_proc_2theta_range_min        4.97322
_pd_proc_info_datetime           2010-02-27T12:28:24
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    1744.56     2:   -1165.81     3:    753.784     4:   -392.443    
      5:    107.438     6:    9.59631     7:   -36.3147     8:    16.6139    
      9:    1.01282    10:   -20.8820    11:    1.96294    12:    8.26891    
     13:   -14.8965    14:    9.53293    15:   -13.1690    16:   -7.20140    
     17:    19.5124    18:   -17.6684    19:   -3.78013    20:    15.1930    
     21:   -19.6539    22:    22.4970    23:   -18.5923    24:    6.54791    
     25:    10.8121    26:   -14.7646    27:    17.3577    28:   -6.95230    
     29:    3.33668    30:    12.2815    31:   -12.1847    32:    13.1542    
     33:   -2.75204    34:   -6.56799    35:    11.5404    36:   -2.53151    
;
_pd_proc_ls_prof_R_factor        0.0229
_pd_proc_ls_prof_wR_expected     0.0227
_pd_proc_ls_prof_wR_factor       0.0301
_pd_proc_number_of_points        5750
_refine_ls_R_Fsqd_factor         0.02407
_reflns_d_resolution_high        0.891
_reflns_d_resolution_low         6.933
_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             484
_cod_data_source_file            LU2MNGE4O12.cif
_cod_data_source_block           LU2MNGE4O12_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 (40 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 (30 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        553.10(4)
_cod_database_code               1563634
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000