Accuracy

li(i)o4n (barvof) r   2187 Li(I)O4N (BARVOF) (Geo)

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    #  Species Formula
  2177 Sulfuric acid (Geo)H2O4S
  2178 Sulfuric acidH2O4S
  2179 Lithium sulfate anionLiO4S
  2180 Lithium sulfateLi2O4S
  2181 Dimethyl sulfateC2H6O4S
  2182 Dimethyl sulfate (Geo)C2H6O4S
  2183 (CH3O)3SOC3H9O4S
  2184 Diethyl sulfateC4H10O4S
  2185 Dipropyl sulfateC6H14O4S
  2186 Di-n-butyl sulfateC8H18O4S
  2187 Li(I)O4N (BARVOF) (Geo) H16LiC9NO4S
  2188 Li(I)O4N (BARVOF)H16LiC9NO4S
  2189 Li(I)O4N (BARVIZ) (Geo)H24LiC13NO4S
  2190 Li(I)O4N (BARVIZ)H24LiC13NO4S
  2191 LiHSO4.2H2O (corrected for PW91D error in H2SO4)H5LiO6S
  2192 LiHSO4.2H2O (Geo)H5LiO6S
  2193 Sulfur fluorideFS
  2194 SO2FO2FS
  2195 Fluorosulfonic acid (HOSO2F)HO3FS
  2196 Methyl fluorosulfate (Geo)CH3O3FS
  2197 Sulfur difluoride (Geo)F2S


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Li(I)O4N (BARVOF)
 <S-C> <C-N> <N-Li><> <Li-O><O-Li-N> GR=CCDC
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.62556700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.15202300 +1  179.6229700 +0    0.0000000 +0     2     1     0
 Li     1.96529800 +1  179.9502820 +0    1.6035010 +1     3     2     1
  O     2.08351000 +1  114.1472400 +1   92.4264346 +1     4     3     2
  O     2.29387913 +1  124.6334228 +1  -91.0068070 +1     4     3     5
  O     2.30971153 +1  126.1771750 +1  -95.4468390 +1     4     3     6
  O     2.28479406 +1  113.7255738 +1  -86.9636648 +1     4     3     7
  C     1.42042944 +1  115.6213319 +1 -137.4012110 +1     5     4     3
  C     1.40936350 +1  103.8122150 +1   93.2554507 +1     6     4     3
  C     1.42022117 +1  112.0510306 +1  125.6185694 +1     6     4    10
  C     1.40999259 +1  107.4454294 +1  105.5542918 +1     7     4     3
  C     1.42092493 +1  111.5877915 +1  127.5066634 +1     7     4    12
  C     1.40829645 +1  109.1326763 +1  108.3865066 +1     8     4     3
  C     1.41991182 +1  108.8288440 +1  127.6027313 +1     8     4    14
  C     1.41132711 +1  109.0568198 +1 -132.2147781 +1     5     4     9
  H     1.10177618 +1  111.1956095 +1  -80.2552103 +1     9     5     4
  H     1.10720133 +1  108.4022705 +1 -119.8417676 +1     9     5    17
  H     1.10334735 +1  111.5918171 +1  171.2362551 +1    10     6     4
  H     1.11741801 +1  101.5154805 +1  115.6746538 +1    10     6    19
  H     1.10123035 +1  111.7634793 +1  -76.8212904 +1    11     6     4
  H     1.10668633 +1  108.1224201 +1 -119.7876010 +1    11     6    21
  H     1.10338192 +1  111.3781955 +1  172.5100258 +1    12     7     4
  H     1.11636208 +1  101.6300247 +1  115.7083723 +1    12     7    23
  H     1.10132715 +1  111.4395424 +1  -76.1303362 +1    13     7     4
  H     1.10649527 +1  108.3693198 +1 -119.8020985 +1    13     7    25
  H     1.10307346 +1  111.4952065 +1  170.7159478 +1    14     8     4
  H     1.11691709 +1  101.4756757 +1  115.8983664 +1    14     8    27
  H     1.10065177 +1  111.9168700 +1  -82.4904608 +1    15     8     4
  H     1.10719443 +1  108.0478421 +1 -119.8208456 +1    15     8    29
  H     1.10326097 +1  111.6325021 +1  176.0619779 +1    16     5     4
  H     1.11852784 +1  101.8256935 +1  115.9779269 +1    16     5    31