Merge branch 'master' of github.com:materialsproject/pymatgen

materialsproject · Apr 29, 2021 · a2435fc · a2435fc
2 parents 8a7cb1e + 276c36e
commit a2435fc
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Showing 3 changed files with 10 additions and 4 deletions.
diff --git a/pymatgen/core/periodic_table.json b/pymatgen/core/periodic_table.json
diff --git a/pymatgen/core/periodic_table.py b/pymatgen/core/periodic_table.py
@@ -63,8 +63,14 @@ def __init__(self, symbol: str):
         .. attribute:: van_der_waals_radius
 
             Van der Waals radius for the element. This is the empirical
-            value. Data is obtained from
-            http://en.wikipedia.org/wiki/Atomic_radii_of_the_elements_(data_page).
+            value determined from critical reviews of X-ray diffraction, gas kinetic
+            collision cross-section, and other experimental data by Bondi and later
+            workers. The uncertainty in these values is on the order of 0.1 Å.
+
+            Data are obtained from
+
+            "Atomic Radii of the Elements" in CRC Handbook of Chemistry and Physics,
+                91st Ed.; Haynes, W.M., Ed.; CRC Press: Boca Raton, FL, 2010.
 
         .. attribute:: mendeleev_no
 

diff --git a/pymatgen/core/tests/test_periodic_table.py b/pymatgen/core/tests/test_periodic_table.py
@@ -255,7 +255,7 @@ def test_radii(self):
         el = Element.Pd
         self.assertEqual(el.atomic_radius, 1.40)
         self.assertEqual(el.atomic_radius_calculated, 1.69)
-        self.assertEqual(el.van_der_waals_radius, 1.63)
+        self.assertEqual(el.van_der_waals_radius, 2.10)
 
     def test_data(self):
         self.assertEqual(Element.Pd.data["Atomic radius"], 1.4)