Skip to content

Commit

Permalink
rekey atomic_mass
Browse files Browse the repository at this point in the history
  • Loading branch information
@rowlesmr
rowlesmr committed Jun 1, 2023
1 parent f4d4d40 commit 8b31fc8
Show file tree
Hide file tree
Showing 2 changed files with 27 additions and 44 deletions.
2 changes: 1 addition & 1 deletion cif_core.dic
View file
Original file line number Diff line number Diff line change
Expand Up @@ -23810,7 +23810,7 @@ save_atom_type.atomic_mass
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.def_index_id '_atom_type.symbol'
_enumeration.def_index_id '_atom_type.element_symbol'
_units.code dalton

_import.get [{'file':templ_enum.cif 'save':atomic_mass}]
Expand Down
69 changes: 26 additions & 43 deletions templ_enum.cif
View file
Original file line number Diff line number Diff line change
Expand Up @@ -1003,49 +1003,32 @@ save_atomic_mass
loop_
_enumeration_default.index
_enumeration_default.value
H 1.008 D 2.008 H1- 1.008 He 4.003 Li 6.941
Li1+ 6.941 Be 9.012 Be2+ 9.012 B 10.811 C 12.011
N 14.007 O 15.999 O1- 15.999 F 18.998 F1- 18.998
Ne 20.179 Na 22.990 Na1+ 22.990 Mg 24.305 Mg2+ 24.305
Al 26.982 Al3+ 26.982 Si 28.086 Si4+ 28.086 P 30.974
S 32.066 Cl 35.453 Cl1- 35.453 Ar 39.948 K 39.098
K1+ 39.098 Ca 40.078 Ca2+ 40.078 Sc 44.956 Sc3+ 44.956
Ti 47.88 Ti2+ 47.88 Ti3+ 47.88 Ti4+ 47.88 V 50.942
V2+ 50.942 V3+ 50.942 V5+ 50.942 Cr 51.996 Cr2+ 51.996
Cr3+ 51.996 Mn 54.938 Mn2+ 54.938 Mn3+ 54.938 Mn4+ 54.938
Fe 55.847 Fe2+ 55.847 Fe3+ 55.847 Co 58.933 Co2+ 58.933
Co3+ 58.933 Ni 58.69 Ni2+ 58.69 Ni3+ 58.69 Cu 63.546
Cu1+ 63.546 Cu2+ 63.546 Zn 65.39 Zn2+ 65.39 Ga 69.723
Ga3+ 69.723 Ge 72.59 Ge4+ 72.59 As 74.922 Se 78.96
Br 79.904 Br1- 79.904 Kr 83.80 Rb 85.468 Rb1+ 85.468
Sr 87.62 Sr2+ 87.62 Y 88.906 Y3+ 88.906 Zr 91.224
Zr4+ 91.224 Nb 92.906 Nb3+ 92.906 Nb5+ 92.906 Mo 95.94
Mo3+ 95.94 Mo5+ 95.94 Mo6+ 95.94 Tc 98.906 Ru 101.07
Ru3+ 101.07 Ru4+ 101.07 Rh 102.906 Rh3+ 102.906 Rh4+ 102.906
Pd 106.42 Pd2+ 106.42 Pd4+ 106.42 Ag 107.868 Ag1+ 107.868
Ag2+ 107.868 Cd 112.41 Cd2+ 112.41 In 114.82 In3+ 114.82
Sn 118.71 Sn2+ 118.71 Sn4+ 118.71 Sb 121.75 Sb3+ 121.75
Sb5+ 121.75 Te 127.60 I 126.905 I1- 126.905 Xe 131.29
Cs 132.905 Cs1+ 132.905 Ba 137.33 Ba2+ 137.33 La 138.906
La3+ 138.906 Ce 140.12 Ce3+ 140.12 Ce4+ 140.12 Pr 140.908
Pr3+ 140.908 Pr4+ 140.908 Nd 144.24 Nd3+ 144.24 Pm 147.
Sm 150.36 Sm3+ 150.36 Eu 151.96 Eu2+ 151.96 Eu3+ 151.96
Gd 157.25 Gd3+ 157.25 Tb 158.926 Tb3+ 158.926 Dy 162.5
Dy3+ 162.5 Ho 164.93 Ho3+ 164.93 Er 167.26 Er3+ 167.26
Tm 168.934 Tm3+ 168.934 Yb 173.04 Yb2+ 173.04 Yb3+ 173.04
Lu 174.967 Lu3+ 174.967 Hf 178.49 Hf4+ 178.49 Ta 180.948
Ta5+ 180.948 W 183.85 W6+ 183.85 Re 186.207 Os 190.2
Os4+ 190.2 Ir 192.22 Ir3+ 192.22 Ir4+ 192.22 Pt 195.08
Pt2+ 195.08 Pt4+ 195.08 Au 196.966 Au1+ 196.966 Au3+ 196.966
Hg 200.59 Hg1+ 200.59 Hg2+ 200.59 Tl 204.383 Tl1+ 204.383
Tl3+ 204.383 Pb 207.2 Pb2+ 207.2 Pb4+ 207.2 Bi 208.980
Bi3+ 208.980 Bi5+ 208.980 Po 209. At 210. Rn 222.
Fr 223. Ra 226.025 Ra2+ 226.025 Ac 227. Ac3+ 227.
Th 232.038 Th4+ 232.038 Pa 231.036 U 238.029 U3+ 238.029
U4+ 238.029 U6+ 238.029 Np 237.048 Np3+ 237.048 Np4+ 237.048
Np6+ 237.048 Pu 242. Pu3+ 242. Pu4+ 242. Pu6+ 242.
Am 243. Cm 247. Bk 247. Cf 249.
save_
H 1.008 D 2.008 He 4.003 Li 6.941 Be 9.012
B 10.811 C 12.011 N 14.007 O 15.999 F 18.998
Ne 20.179 Na 22.990 Mg 24.305 Al 26.982 Si 28.086
P 30.974 S 32.066 Cl 35.453 Ar 39.948 K 39.098
Ca 40.078 Sc 44.956 Ti 47.88 V 50.942 Cr 51.996
Mn 54.938 Fe 55.847 Co 58.933 Ni 58.69 Cu 63.546
Zn 65.39 Ga 69.723 Ge 72.59 As 74.922 Se 78.96
Br 79.904 Kr 83.80 Rb 85.468 Sr 87.62 Y 88.906
Zr 91.224 Nb 92.906 Mo 95.94 Tc 98.906 Ru 101.07
Rh 102.906 Pd 106.42 Ag 107.868 Cd 112.41 In 114.82
Sn 118.71 Sb 121.75 Te 127.60 I 126.905 Xe 131.29
Cs 132.905 Ba 137.33 La 138.906 Ce 140.12 Pr 140.908
Nd 144.24 Pm 147. Sm 150.36 Eu 151.96 Gd 157.25
Tb 158.926 Dy 162.5 Ho 164.93 Er 167.26 Tm 168.934
Yb 173.04 Lu 174.967 Hf 178.49 Ta 180.948 W 183.85
Re 186.207 Os 190.2 Ir 192.22 Pt 195.08 Au 196.966
Hg 200.59 Tl 204.383 Pb 207.2 Bi 208.980 Po 209.
At 210. Rn 222. Fr 223. Ra 226.025 Ac 227.
Th 232.038 Pa 231.036 U 238.029 Np 237.048 Pu 242.
Am 243. Cm 247. Bk 247. Cf 249. Es 252.
Fm 257. Md 258. No 259. Lr 266. Rf 267.
Db 268. Sg 269. Bh 270. Hs 269. Mt 278.
Ds 281. Rg 282. Cn 285. Nh 286. Fl 289.
Mc 290. Lv 293. Ts 294. Og 294.

save_


save_radius_bond
Expand Down

0 comments on commit 8b31fc8

Please sign in to comment.