Crystal structures of gadolinium pentagermanide, GdGe5 and neodymium pentagermanide, NdGe5
Katrin Meier; Alexander Kerkau; Ulrich Schwarz; Zeitschrift für Kristallographie - New Crystal Structures 224 (2009) 373–; doi:

data_8103029
_publ_section_title
;
 Crystal structures of gadolinium pentagermanide, GdGe5 and neodymium
 pentagermanide, NdGe5
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              373
_journal_volume                  224
_journal_year                    2009
_chemical_formula_sum            'Gd Ge5'
_chemical_formula_weight         1040.4
_space_group_IT_number           25
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 -2'
_symmetry_space_group_name_H-M   'P m m 2'
_audit_creation_method           'WinCSD program'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   3.9686(9)
_cell_length_b                   6.130(1)
_cell_length_c                   9.847(3)
_cell_measurement_temperature    295
_cell_volume                     239.55(10)
_computing_cell_refinement       WinCSD
_computing_data_reduction        WinCSD
_computing_structure_refinement  WinCSD
_diffrn_radiation_detector       'nine crystal multi-analyser stage'
_diffrn_radiation_monochromator  'Si 111 double-crystal monochromator'
_diffrn_radiation_source         'synchrotron ID31 ESRF'
_diffrn_radiation_type           x-ray
_diffrn_radiation_wavelength     0.39987841
_diffrn_reflns_theta_max         17.6
_exptl_absorpt_coefficient_mu    11.21
_exptl_crystal_density_diffrn    7.2078(6)
_exptl_crystal_F_000             448
_pd_char_colour                  black
_pd_char_particle_morphology     'size < 0.063mm'
_pd_meas_2theta_range_inc        0.002000
_pd_meas_2theta_range_max        34.89000
_pd_meas_2theta_range_min        2.50000
_pd_meas_number_of_points        16197
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     14
_refine_ls_number_reflns         285
_refine_ls_R_factor_gt           0.1412
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     'w = 1/[Y~i~+\s(Y~i~)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1437
_cod_data_source_file            710016.cff
_cod_data_source_block           global
_cod_depositor_comments
;
The following corrections have been performed
in the original file before processing it for deposition
(the diff against the Z. Krist. - NCS original is given):

Index: 2009/03/710016.cff
===================================================================
--- 2009/03/710016.cff    (revision 561)
+++ 2009/03/710016.cff    (revision 562)
@@ -91,7 +91,7 @@
 Both intermetallic compounds REGe~5~ (RE = Gd, Nd) crystallize isostructural 
 to LaGe~5~ [5]. The synthesis of the phase NdGe~5~ was earlier reported in 
 an independent investigation [6]. 
- ;
+;
 _publ_section_comment
 ;
 The crystal structure of the synthesized pentagermanides can be described as 
@@ -207,7 +207,6 @@
 _diffrn_measurement_method              ?
 _diffrn_reflns_reduction_process        ?
 _diffrn_measurement_details              ?
-;
 _diffrn_reflns_number                    ?
 _diffrn_reflns_av_R_equivalents          ?
 _diffrn_reflns_av_sigmaI/netI            ?

Saulius Gra\<zulis
2011-03-03

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[Y~i~+\s(Y~i~)]' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[Y~i~+\s(Y~i~)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        239.5(2)
_cod_original_sg_symbol_H-M      'I m m m'
_cod_original_formula_sum        'Gd1 Ge5'
_cod_database_code               8103029