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

Report for the framework in file "public/tmp/tmp_194_6_103170045_mXs529.cif"

There are 144 T-atoms per unit cell
There are 288 O-atoms per unit cell

Framework density = 23.42 T-atoms per nm^3
Material density = 2.336 grams per cm^3 (excluding extra-framework material)
-------------------------------------------------------------------
-------------------------- T-O Analysis ---------------------------
-------------------------------------------------------------------
[Si] Ideal SiO distance = 1.610 Angstrom
T1  -- O1  = 1.5346 Angstrom
T1  -- O3  = 1.5920 Angstrom
T1  -- O2  = 1.6131 Angstrom
T1  -- O4  = 1.6299 Angstrom
      mean = 1.5924 Angstrom
        t1 = 0.069169  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.043357  (0.0 is a perfect tetrahedron)

[Si] Ideal SiO distance = 1.610 Angstrom
T2  -- O3  = 1.5617 Angstrom
T2  -- O5  = 1.6640 Angstrom
T2  -- O6  = 1.6395 Angstrom
T2  -- O7  = 1.7569 Angstrom
      mean = 1.6555 Angstrom
        t1 = 0.065921  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.067057  (0.0 is a perfect tetrahedron)

[Si] Ideal SiO distance = 1.610 Angstrom
T3  -- O4  = 1.6541 Angstrom
T3  -- O6  = 1.5213 Angstrom
T3  -- O8  = 1.6280 Angstrom
T3  -- O9  = 1.6676 Angstrom
      mean = 1.6177 Angstrom
        t1 = 0.057851  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.037510  (0.0 is a perfect tetrahedron)

[Si] Ideal SiO distance = 1.610 Angstrom
T4  -- O7  = 1.7614 Angstrom
T4  -- O10 = 1.6305 Angstrom
T4  -- O11 = 1.6757 Angstrom
T4  -- O12 = 1.6140 Angstrom
      mean = 1.6704 Angstrom
        t1 = 0.061186  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.066116  (0.0 is a perfect tetrahedron)

[Si] Ideal SiO distance = 1.610 Angstrom
T5  -- O9  = 1.6500 Angstrom
T5  -- O13 = 1.6596 Angstrom
T5  -- O14 = 1.6666 Angstrom
T5  -- O15 = 1.7240 Angstrom
      mean = 1.6750 Angstrom
        t1 = 0.047099  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.030342  (0.0 is a perfect tetrahedron)

[Si] Ideal SiO distance = 1.610 Angstrom
T6  -- O12 = 1.5925 Angstrom
T6  -- O15 = 1.6955 Angstrom
T6  -- O16 = 1.6157 Angstrom
T6  -- O17 = 1.6770 Angstrom
      mean = 1.6452 Angstrom
        t1 = 0.048069  (0.0 is a perfect SiO4 tetrahedron)
        t2 = 0.033266  (0.0 is a perfect tetrahedron)

        T-O SUMMARY
          Range  = 1.5213 A <--> 1.7614 A
          Mean   = 1.6427 A
          StdDev = 0.0585 A

       t1 Range  = 0.0471 <-- 0.0582 --> 0.0692
       t2 Range  = 0.0303 <-- 0.0463 --> 0.0671

-------------------------------------------------------------------
------------------------- O-T-O Analysis --------------------------
-------------------------------------------------------------------
O1  -- T1  -- O3  = 108.029 deg; O1  -- O3  = 3 A
O1  -- T1  -- O2  = 109.685 deg; O1  -- O2  = 3 A
O1  -- T1  -- O4  =  91.440 deg; O1  -- O4  = 2 A
O3  -- T1  -- O2  = 109.215 deg; O3  -- O2  = 3 A
O3  -- T1  -- O4  = 124.788 deg; O3  -- O4  = 3 A
O2  -- T1  -- O4  = 111.596 deg; O2  -- O4  = 3 A
       91.440 deg <-- 109.125 deg --> 124.788 deg

O3  -- T2  -- O5  = 106.733 deg; O3  -- O5  = 3 A
O3  -- T2  -- O6  = 100.407 deg; O3  -- O6  = 2 A
O3  -- T2  -- O7  = 107.956 deg; O3  -- O7  = 3 A
O5  -- T2  -- O6  = 107.846 deg; O5  -- O6  = 3 A
O5  -- T2  -- O7  = 119.527 deg; O5  -- O7  = 3 A
O6  -- T2  -- O7  = 112.518 deg; O6  -- O7  = 3 A
       100.407 deg <-- 109.164 deg --> 119.527 deg

O4  -- T3  -- O6  = 104.246 deg; O4  -- O6  = 3 A
O4  -- T3  -- O8  = 109.183 deg; O4  -- O8  = 3 A
O4  -- T3  -- O9  = 121.866 deg; O4  -- O9  = 3 A
O6  -- T3  -- O8  = 114.415 deg; O6  -- O8  = 3 A
O6  -- T3  -- O9  =  98.529 deg; O6  -- O9  = 2 A
O8  -- T3  -- O9  = 108.398 deg; O8  -- O9  = 3 A
       98.529 deg <-- 109.440 deg --> 121.866 deg

O7  -- T4  -- O10 = 107.926 deg; O7  -- O10 = 3 A
O7  -- T4  -- O11 = 120.036 deg; O7  -- O11 = 3 A
O7  -- T4  -- O12 = 108.243 deg; O7  -- O12 = 3 A
O10 -- T4  -- O11 = 109.839 deg; O10 -- O11 = 3 A
O10 -- T4  -- O12 = 105.179 deg; O10 -- O12 = 3 A
O11 -- T4  -- O12 = 104.625 deg; O11 -- O12 = 3 A
       104.625 deg <-- 109.308 deg --> 120.036 deg

O9  -- T5  -- O13 = 109.730 deg; O9  -- O13 = 3 A
O9  -- T5  -- O14 = 104.397 deg; O9  -- O14 = 3 A
O9  -- T5  -- O15 = 109.302 deg; O9  -- O15 = 3 A
O13 -- T5  -- O14 = 110.641 deg; O13 -- O14 = 3 A
O13 -- T5  -- O15 = 109.004 deg; O13 -- O15 = 3 A
O14 -- T5  -- O15 = 113.647 deg; O14 -- O15 = 3 A
       104.397 deg <-- 109.454 deg --> 113.647 deg

O12 -- T6  -- O15 = 103.790 deg; O12 -- O15 = 3 A
O12 -- T6  -- O16 = 108.295 deg; O12 -- O16 = 3 A
O12 -- T6  -- O17 = 106.409 deg; O12 -- O17 = 3 A
O15 -- T6  -- O16 = 108.645 deg; O15 -- O16 = 3 A
O15 -- T6  -- O17 = 120.240 deg; O15 -- O17 = 3 A
O16 -- T6  -- O17 = 108.843 deg; O16 -- O17 = 3 A
       103.790 deg <-- 109.370 deg --> 120.240 deg

        O-T-O SUMMARY
          Range  = 91.4404 deg <--> 124.7876 deg
          Mean   = 109.2842 deg
          StdDev = 6.5527 deg

        O--O SUMMARY
          Range  = 2.2666 A <--> 2.9775 A
          Mean   = 2.6776 A
          StdDev = 0.1505 A

-------------------------------------------------------------------
------------------------- T-T-T Analysis --------------------------
-------------------------------------------------------------------
-------------------------------------------------------------------
------------------------- T-O-T Analysis --------------------------
-------------------------------------------------------------------
T1  -- O1  -- T1  = 169.396 deg ; T1  -- T1   3.0562 A

T1  -- O2  -- T1  = 112.334 deg ; T1  -- T1   2.6799 A

T1  -- O3  -- T2  = 121.451 deg ; T1  -- T2   2.7510 A

T1  -- O4  -- T3  = 149.227 deg ; T1  -- T3   3.1663 A

T2  -- O5  -- T2  = 113.038 deg ; T2  -- T2   2.7758 A

T2  -- O6  -- T3  = 104.804 deg ; T2  -- T3   2.5054 A

T2  -- O7  -- T4  = 155.181 deg ; T2  -- T4   3.4361 A

T3  -- O8  -- T3  =  99.100 deg ; T3  -- T3   2.4777 A

T3  -- O9  -- T5  = 169.270 deg ; T3  -- T5   3.3030 A

T4  -- O10 -- T4  = 128.889 deg ; T4  -- T4   2.9420 A

T4  -- O11 -- T4  = 141.162 deg ; T4  -- T4   3.1606 A

T4  -- O12 -- T6  = 118.929 deg ; T4  -- T6   2.7618 A

T5  -- O13 -- T5  = 164.374 deg ; T5  -- T5   3.2884 A

T5  -- O14 -- T5  = 130.397 deg ; T5  -- T5   3.0257 A

T5  -- O15 -- T6  = 140.687 deg ; T5  -- T6   3.2202 A

T6  -- O16 -- T6  = 155.272 deg ; T6  -- T6   3.1564 A

T6  -- O17 -- T6  = 120.404 deg ; T6  -- T6   2.9106 A


        T-O-T SUMMARY
          Range  = 99.1003° <--> 169.3961 deg
          Mean   = 134.9361 deg
          StdDev = 22.0180 deg

        T--T SUMMARY
          Range  = 2.4777 A <--> 3.4361 A
          Mean   = 2.9775 A
          StdDev = 0.2755 A

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

SOME OXYGEN ATOMS ARE TOO CLOSE TO EACH OTHER
O1  -- O4  = 2.2666 A
O1  -- O4  = 2.2666 A

T-T-T analysis was not conducted.
T1  -- T1  = 2.6799 Angstrom
T1  -- T2  = 2.7510 Angstrom

SOME T-ATOM DISTANCES ARE OUTSIDE THE NORMAL RANGE
T2  has 5 neighboring T-atoms within 3.50 A, but only 4 bridging O-atoms
  T2  -- T1  = 2.7510 Angstrom
  T2  -- T2  = 2.7758 Angstrom
  T2  -- T3  = 2.5054 Angstrom
  T2  -- T4  = 3.4361 Angstrom
  T2  -- T5  = 3.3708 Angstrom
T3  has 5 neighboring T-atoms within 3.50 A, but only 4 bridging O-atoms
  T3  -- T1  = 3.1663 Angstrom
  T3  -- T2  = 2.5054 Angstrom
  T3  -- T3  = 2.4777 Angstrom
  T3  -- T4  = 3.3105 Angstrom
  T3  -- T5  = 3.3030 Angstrom
T4  has 5 neighboring T-atoms within 3.50 A, but only 4 bridging O-atoms
  T4  -- T2  = 3.4361 Angstrom
  T4  -- T3  = 3.3105 Angstrom
  T4  -- T4  = 2.9420 Angstrom
  T4  -- T4  = 3.1606 Angstrom
  T4  -- T6  = 2.7618 Angstrom
T5  has 5 neighboring T-atoms within 3.50 A, but only 4 bridging O-atoms
  T5  -- T2  = 3.3708 Angstrom
  T5  -- T3  = 3.3030 Angstrom
  T5  -- T5  = 3.0257 Angstrom
  T5  -- T6  = 3.2202 Angstrom
  T5  -- T5  = 3.2884 Angstrom
T6  -- T4  = 2.7618 Angstrom

-------------------------------------------------------------------
---------------------- Topological Analysis -----------------------
-------------------------------------------------------------------
T1 (Si): multiplicity = 24
Coordination Sequence =
    1 4 9 19 35 57 86 121 169 228 289 349 401 461 543 643 740
TD10 = 1018
Circuit symbol = 4.6.4.6_{2}.4.6_{2}
Weight = 14
Vertex symbol  = 4.6.4.6.4.8_{2}
Weight = 22

T2 (Si): multiplicity = 24
Coordination Sequence =
    1 4 11 21 36 61 93 131 175 224 279 344 411 477 554 636 727
TD10 = 1036
Circuit symbol = 4.7.5.6.6.6
Weight = 16
Vertex symbol  = 4.12_{9}.5.6.6.6
Weight = 39

T3 (Si): multiplicity = 24
Coordination Sequence =
    1 4 10 20 35 56 86 124 169 219 271 331 398 473 554 634 723
TD10 = 995
Circuit symbol = 4.4.5.6.6.7
Weight = 14
Vertex symbol  = 4.4.5.6.6.8
Weight = 18

T4 (Si): multiplicity = 24
Coordination Sequence =
    1 4 11 23 41 66 96 133 177 227 282 344 413 487 566 651 742
TD10 = 1061
Circuit symbol = 4.6.5.6.6.6
Weight = 18
Vertex symbol  = 4.6.5.6.6.6
Weight = 18

T5 (Si): multiplicity = 24
Coordination Sequence =
    1 4 11 23 41 67 104 148 191 233 281 344 420 502 583 662 744
TD10 = 1104
Circuit symbol = 4.7.5.6.6.6
Weight = 15
Vertex symbol  = 4.8.5.6.6.6
Weight = 20

T6 (Si): multiplicity = 24
Coordination Sequence =
    1 4 10 23 43 68 98 133 178 231 286 344 408 483 571 666 758
TD10 = 1075
Circuit symbol = 4.5.4.8_{3}.6.7
Weight = 20
Vertex symbol  = 4.5.4.8_{3}.8.8_{2}
Weight = 25

<TD10> = 1048.167
Average ring size = 6.1277
