Update 2 files

- /cif files/Zninkblende.cif
- /README.md

README.md

@@ -2,7 +2,7 @@
 
 
 ## Aufgabe – Reflexe und Gitterebenen
-Laden Sie für diese Aufgabe die Dateien Zinkblende.cif, [Diamant.cif](cif files/Diamant.cif) und Zinkblende_exp.dat herunter.
+Laden Sie für diese Aufgabe die Dateien [Zinkblende.cif](cif files/Zinkblende.cif), [Diamant.cif](cif files/Diamant.cif) und Zinkblende_exp.dat herunter.
 
 - a)     Importieren Sie in Vesta (https://jp-minerals.org/vesta/en/download.html) die Zinkblende Struktur, erweitern sie die Einheitszellen in x,y und z auf 3 Einheiten und simulieren Sie das Beugungsmuster (PXRD) mit der Wellenlänge von Cu Kalpha lambda=1.54059 Ang. Zeichnen Sie zusätzlich zu den ersten 3 Peaks (2 theta = 28.53 ° , 33.06 ° und 47.45 °) im PXRD jeweils 1 zugehörigen Reflex ein indem sie in Vesta zwei Gitterebenen bei n*d und (n+1)*d. Wählen Sie für diese Ebenen zur besseren Darstellung 5 < n < 20. 
 Exportieren sie das Beugungsmuster für d)

cif files/Zninkblende.cif

+#------------------------------------------------------------------------------
+#$Date: 2017-10-15 03:23:08 +0300 (Sun, 15 Oct 2017) $
+#$Revision: 202022 $
+#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100043.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_1100043
+loop_
+_publ_author_name
+'Jumpertz, E. A.'
+_publ_section_title
+;
+ Electron-density distribution in zinc blende
+;
+_journal_name_full
+;
+ Zeitschrift f\"ur Elektrochemie und angewandte physikalische Chemie
+;
+_journal_page_first              419
+_journal_page_last               425
+_journal_volume                  59
+_journal_year                    1955
+_chemical_formula_sum            'S Zn'
+_chemical_name_mineral           Sphalerite
+_chemical_name_systematic        'Zinc sulfide'
+_space_group_IT_number           216
+_symmetry_cell_setting           cubic
+_symmetry_Int_Tables_number      216
+_symmetry_space_group_name_Hall  'F -4 2 3'
+_symmetry_space_group_name_H-M   'F -4 3 m'
+_cell_angle_alpha                90
+_cell_angle_beta                 90
+_cell_angle_gamma                90
+_cell_formula_units_Z            4
+_cell_length_a                   5.4145(90)
+_cell_length_b                   5.4145(90)
+_cell_length_c                   5.4145(90)
+_cell_volume                     158.7
+_exptl_crystal_density_meas      3.9
+_cod_database_code               1100043
+loop_
+_symmetry_equiv_pos_as_xyz
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+y,z,x
+z,x,y
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+-x,y,-z
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+-y,x,-z
+-z,y,-x
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+1/2-z,1/2-y,x
+loop_
+_atom_site_label
+_atom_site_type_symbol
+_atom_site_symmetry_multiplicity
+_atom_site_Wyckoff_symbol
+_atom_site_fract_x
+_atom_site_fract_y
+_atom_site_fract_z
+_atom_site_occupancy
+_atom_site_attached_hydrogens
+_atom_site_calc_flag
+Zn1 Zn2+ 4 a 0. 0. 0. 1. 0 d
+S1 S2- 4 c 0.25 0.25 0.25 1. 0 d
+loop_
+_atom_type_symbol
+_atom_type_oxidation_number
+Zn2+ 2.000
+S2- -2.000
+loop_
+_cod_related_entry_id
+_cod_related_entry_database
+_cod_related_entry_code
+1 MPOD 1000125
+2 MPOD 1000146