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_1563637
_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 Tm2'
_chemical_formula_weight         595.04
_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                   6.76415(18)
_cell_length_b                   6.76415
_cell_length_c                   12.2892(6)
_cell_volume                     562.28(3)
_diffrn_radiation_polarisn_ratio 0.8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_correction_T_max  7.19854
_exptl_absorpt_correction_T_min  2.53486
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =    -0.60008         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        119.94002
_pd_proc_2theta_range_min        4.96002
_pd_proc_info_datetime           2010-02-27T12:19:49
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    2344.89     2:   -1723.64     3:    966.516     4:   -491.033    
      5:    113.355     6:    19.1886     7:   -55.8367     8:    31.7124    
      9:   -3.91557    10:   -28.6565    11:    24.0086    12:    7.46059    
     13:   -21.8846    14:    17.7881    15:   -3.84939    16:   -10.1489    
     17:    34.7978    18:   -25.1807    19:    6.61681    20:    21.3075    
     21:   -23.1767    22:    36.8867    23:   -20.4293    24:    4.29849    
     25:    15.4355    26:   -22.2083    27:    25.4699    28:   -15.1705    
     29:    5.80032    30:    12.5143    31:   -17.4617    32:    12.9886    
     33:   -4.86856    34:   -12.6641    35:    12.4290    36:   -9.25685    
;
_pd_proc_ls_prof_R_factor        0.0195
_pd_proc_ls_prof_wR_expected     0.0194
_pd_proc_ls_prof_wR_factor       0.0258
_pd_proc_number_of_points        5750
_refine_ls_R_Fsqd_factor         0.01942
_reflns_d_resolution_high        0.891
_reflns_d_resolution_low         6.962
_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             488
_cod_data_source_file            TM2MNGE4O12.cif
_cod_data_source_block           TM2MNGE4O12_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        562.276(34)
_cod_database_code               1563637
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000