#------------------------------------------------------------------------------
#$Date: 2021-07-22 07:07:29 +0200 (jue 22 de jul de 2021) $
#$Revision: 267693 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/32/7243256.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7243256
loop_
_publ_author_name
'Litzbarski, Leszek S.'
'Klimczuk, Tomasz'
'Winiarski, Michał J.'
_publ_section_title
;
 Ho2Pd1.3Ge2.7 -- a ternary AlB2-type cluster glass system
;
_journal_issue                   41
_journal_name_full               'RSC Advances'
_journal_page_first              25187
_journal_page_last               25193
_journal_paper_doi               10.1039/D1RA04422B
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'Ge1.35 Ho Pd0.65'
_chemical_formula_weight         332.13
_space_group_IT_number           191
_space_group_name_Hall           '-P 6 2'
_space_group_name_H-M_alt        'P 6/m m m'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_audit_update_record
;
2021-07-06 deposited with the CCDC.	2021-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.000
_cell_formula_units_Z            1
_cell_length_a                   6.19278
_cell_length_b                   6.19278
_cell_length_c                   8.24802
_cell_measurement_temperature    295(1)
_cell_volume                     273.938
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      300
_diffrn_detector_type            LynxEye-XE
_diffrn_measurement_device_type  'Bruker D2 Phaser'
_diffrn_measurement_method       Debye-Scherrer
_diffrn_radiation_type           'Cu K\a'
_diffrn_source                   'sealed X-ray tube'
_exptl_crystal_colour            silver
_exptl_crystal_preparation       'Magnetic properties,Magnetic properties'
_pd_char_colour                  silver
_pd_meas_2theta_range_inc        0.010103
_pd_meas_2theta_range_max        90.00013
_pd_meas_2theta_range_min        5.06197
_pd_meas_number_of_points        8410
_pd_meas_scan_method             cont
_pd_proc_ls_prof_R_factor        5.5033
_pd_proc_ls_prof_wR_expected     2.8093
_pd_proc_ls_prof_wR_factor       7.1328
_pd_proc_wavelength              1.5406
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   2.54
_refine_ls_number_parameters     69
_refine_ls_number_reflns         50
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.0879
_cod_data_source_file            d1ra04422b2.cif
_cod_data_source_block           Ho2Pd1-3Ge2-7
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Hexagonal' was changed to
'hexagonal' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        273.937
_cod_original_formula_sum        'Ho1 Pd0.65 Ge1.35'
_cod_database_code               7243256
_publcif_funding_html
;
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,-x,-z
-y,x-y,z
x-y,-y,-z
-x,-y,z
x,x-y,-z
-x+y,y,-z
y,-x+y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,x,z
y,-x+y,-z
-x+y,y,z
x,y,-z
-x,-x+y,z
x-y,-y,z
-y,x-y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_type_symbol
Ho 0.00000 0.00000 0.00000 0.0237(4) 1.00000 Uiso Ho
Pd 0.33333 0.66667 0.50000 0.0149(4) 0.32493 Uiso Pd
Ge 0.33333 0.66667 0.50000 0.0149(4) 0.67495 Uiso Ge
loop_
_atom_type_symbol
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
ho 26.90490 2.07051 17.29400 0.19794 14.55830 11.44070 3.63837 92.65660 4.56796
-12.25500 3.70400
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
pd 19.33190 0.69866 15.50170 7.98929 5.29537 25.20520 0.60584 76.89860 5.26593
-0.05900 3.93400
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
ge 16.08160 2.85090 6.37470 0.25160 3.70680 11.44680 3.68300 54.76250 2.13130
-1.16300 0.88600
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
? ? ? ? ? ? ? ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
? ? ? ? ? ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
? ? ? ? ? ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
