Structure 1546777

1546776 << 1546777 >> 1546778
Original COD entry Download CIF Download DOT

Citation: Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid (2017). A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite. IUCrJ, 4, pp. -.

Formula: B2 Ca O8 Si2

Chemical name: danburite

Cell parameters:

  • a = 5.479(5) Å
  • b = 5.532(2) Å
  • c = 6.681(6) Å
  • α = 91.74(5)°
  • β = 104.57(8)°
  • γ = 95.59(5)°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: B4 O16 Si4 (B O4 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 8, 40, 57, 90, 114, 195, 240, 299
  • 2, 11, 17, 39, 55, 92, 144, 184, 237, 302
  • 2, 11, 17, 39, 58, 100, 149, 186, 246, 317
  • 2, 11, 20, 42, 58, 116, 147, 197, 241, 325
  • 3, 14, 19, 38, 48, 111, 134, 192, 214, 305
  • 3, 15, 21, 43, 63, 115, 136, 213, 240, 315
  • 3, 15, 22, 47, 64, 105, 146, 214, 240, 323
  • 3, 16, 25, 45, 63, 122, 151, 209, 239, 331
  • 4, 5, 25, 39, 75, 97, 157, 204, 264, 302
  • 4, 6, 30, 42, 72, 99, 167, 201, 269, 300
  • 9, 16, 28, 43, 77, 124, 161, 204, 272, 311
  • 9, 19, 30, 44, 90, 120, 172, 198, 268, 330
span 1 {1 1 1}