Output from "TOTOPOL", (version 1.92, 17 Jul 2017, Mike Treacy).

Report for the framework in file "public/tmp/tmp_98_2_497209_Q_NdDb.cif"

There are 32 T-atoms per unit cell
There are 64 O-atoms per unit cell

Framework density = 25.27 T-atoms per nm^3
Material density = 2.521 grams per cm^3 (excluding extra-framework material)
-------------------------------------------------------------------
-------------------------- T-O Analysis ---------------------------
-------------------------------------------------------------------
[Si] Ideal SiO distance = 1.610 Angstrom
T1  -- O1  = 1.6626 Angstrom
T1  -- O2  = 1.6969 Angstrom
T1  -- O3  = 1.7159 Angstrom
T1  -- O4  = 1.5249 Angstrom
      mean = 1.6501 Angstrom
        t1 = 0.117917  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.115940  (0.0 is a perfect tetrahedron)

[Si] Ideal SiO distance = 1.610 Angstrom
T2  -- O2  = 1.6855 Angstrom
T2  -- O4  = 1.5370 Angstrom
T2  -- O5  = 1.6408 Angstrom
T2  -- O3  = 1.7055 Angstrom
      mean = 1.6422 Angstrom
        t1 = 0.094686  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.073011  (0.0 is a perfect tetrahedron)

        T-O SUMMARY
          Range  = 1.5249 A <--> 1.7159 A
          Mean   = 1.6462 A
          StdDev = 0.0705 A

       t1 Range  = 0.0947 <-- 0.1063 --> 0.1179
       t2 Range  = 0.0730 <-- 0.0945 --> 0.1159

-------------------------------------------------------------------
------------------------- O-T-O Analysis --------------------------
-------------------------------------------------------------------
O1  -- T1  -- O2  = 111.009 deg; O1  -- O2  = 3 A
O1  -- T1  -- O3  = 125.942 deg; O1  -- O3  = 3 A
O1  -- T1  -- O4  =  91.324 deg; O1  -- O4  = 2 A
O2  -- T1  -- O3  = 121.583 deg; O2  -- O3  = 3 A
O2  -- T1  -- O4  = 105.601 deg; O2  -- O4  = 3 A
O3  -- T1  -- O4  =  86.357 deg; O3  -- O4  = 2 A
       86.357 deg <-- 106.969 deg --> 125.942 deg

O2  -- T2  -- O4  =  90.889 deg; O2  -- O4  = 2 A
O2  -- T2  -- O5  = 116.792 deg; O2  -- O5  = 3 A
O2  -- T2  -- O3  = 119.404 deg; O2  -- O3  = 3 A
O4  -- T2  -- O5  =  94.975 deg; O4  -- O5  = 2 A
O4  -- T2  -- O3  = 110.450 deg; O4  -- O3  = 3 A
O5  -- T2  -- O3  = 116.785 deg; O5  -- O3  = 3 A
       90.889 deg <-- 108.216 deg --> 119.404 deg

        O-T-O SUMMARY
          Range  = 86.3575 deg <--> 125.9421 deg
          Mean   = 107.5927 deg
          StdDev = 13.0040 deg

        O--O SUMMARY
          Range  = 2.2220 A <--> 3.0096 A
          Mean   = 2.6457 A
          StdDev = 0.2814 A

-------------------------------------------------------------------
------------------------- T-T-T Analysis --------------------------
-------------------------------------------------------------------
-------------------------------------------------------------------
------------------------- T-O-T Analysis --------------------------
-------------------------------------------------------------------
T1  -- O1  -- T1  = 179.041 deg ; T1  -- T1   3.3251 A

T1  -- O2  -- T2  = 128.186 deg ; T1  -- T2   3.0425 A

T1  -- O3  -- T2  = 149.255 deg ; T1  -- T2   3.2991 A

T1  -- O4  -- T2  = 136.953 deg ; T1  -- T2   2.8484 A

T2  -- O5  -- T2  = 166.937 deg ; T2  -- T2   3.2602 A


        T-O-T SUMMARY
          Range  = 128.1860° <--> 179.0408 deg
          Mean   = 152.0743 deg
          StdDev = 18.8550 deg

        T--T SUMMARY
          Range  = 2.8484 A <--> 3.3251 A
          Mean   = 3.1551 A
          StdDev = 0.1841 A

-------------------------------------------------------------------
------------------------ *** WARNINGS *** -------------------------
-------------------------------------------------------------------

SOME OXYGEN ATOMS ARE TOO CLOSE TO EACH OTHER
O1  -- O4  = 2.2819 A
O1  -- O4  = 2.2819 A
O2  -- O4  = 2.2987 A
O3  -- O4  = 2.2220 A

T-T-T analysis was not conducted.

SOME T-ATOM DISTANCES ARE OUTSIDE THE NORMAL RANGE
T1  has 6 neighboring T-atoms within 3.50 A, but only 4 bridging O-atoms
  T1  -- T1  = 3.3251 Angstrom
  T1  -- T1  = 3.1174 Angstrom
  T1  -- T2  = 3.0425 Angstrom
  T1  -- T2  = 2.8484 Angstrom
  T1  -- T2  = 3.4350 Angstrom
  T1  -- T2  = 3.2991 Angstrom
T2  has 6 neighboring T-atoms within 3.50 A, but only 4 bridging O-atoms
  T2  -- T1  = 3.0425 Angstrom
  T2  -- T2  = 3.3892 Angstrom
  T2  -- T1  = 3.4350 Angstrom
  T2  -- T1  = 3.2991 Angstrom
  T2  -- T1  = 2.8484 Angstrom
  T2  -- T2  = 3.2602 Angstrom

-------------------------------------------------------------------
---------------------- Topological Analysis -----------------------
-------------------------------------------------------------------
T1 (Si): multiplicity = 16
Coordination Sequence =
    1 4 10 22 43 76 108 160 212 272 345 420 511 599 707 815 904
TD10 = 1253
Circuit symbol = 4.8_{5}.4.8_{6}.6.8_{6}
Weight = 24
Vertex symbol  = 4.8_{5}.4.8_{6}.8_{2}.8_{6}
Weight = 29

T2 (Si): multiplicity = 16
Coordination Sequence =
    1 4 10 23 47 73 111 161 211 270 357 429 502 618 687 795 953
TD10 = 1268
Circuit symbol = 4.6_{2}.4.8_{3}.6.6_{2}
Weight = 15
Vertex symbol  = 4.6_{2}.4.8.6_{2}.8_{4}
Weight = 21

<TD10> = 1260.500
Average ring size = 6.8571
