Structure 1570107

1570106 << 1570107 >> 1570108
Original COD entry Download CIF Download DOT

Citation: Nishio-Hamane, D.; Yajima, T.; Ikari, I.; Ohki, Y.; Hori, H.; Ohara, Y. (2023). Kiryuite and gunmaite, two new minerals from Tsukubara, Kiryu City, Gunma Prefecture, Japan. Journal of Mineralogical and Petrological Sciences, 118:019, pp. 1-12.

Formula: Al9.82 Ba0.68 Ca0.01 F16.21 H9.79 Mg0.74 Na1.72 O25.79 P3.99 Sr2.02

Cell parameters:

  • a = 6.9972(2) Å
  • b = 6.9972(2) Å
  • c = 50.270(2) Å
  • α = 90.000000°
  • β = 90.000000°
  • γ = 120.000000°

List type: interleaving

List: 2D

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 6

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

Dimensionality: 2

Formula: Al7 F12 H6 O14 P2 (Al7 F12 H6 O14 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 10, 27, 26, 69, 52, 125, 89
  • 1, 3, 3, 12, 15, 36, 30, 90, 69, 126
  • 2, 8, 7, 19, 20, 56, 48, 111, 73, 142
  • 2, 10, 10, 29, 29, 72, 56, 109, 73, 161
  • 2, 10, 12, 29, 25, 74, 61, 123, 75, 152
  • 3, 10, 10, 27, 26, 69, 52, 125, 89, 165
  • 4, 3, 12, 15, 36, 30, 90, 69, 126, 75
  • 6, 6, 24, 24, 60, 54, 102, 60, 144, 108
  • 6, 8, 22, 20, 56, 48, 111, 73, 142, 94
span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

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

Dimensionality: 2

Formula: Al7 F12 H6 O14 P2 (Al7 F12 H6 O14 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 10, 27, 26, 69, 52, 125, 89
  • 1, 3, 3, 12, 15, 36, 30, 90, 69, 126
  • 2, 8, 7, 19, 20, 56, 48, 111, 73, 142
  • 2, 10, 10, 29, 29, 72, 56, 109, 73, 161
  • 2, 10, 12, 29, 25, 74, 61, 123, 75, 152
  • 3, 10, 10, 27, 26, 69, 52, 125, 89, 165
  • 4, 3, 12, 15, 36, 30, 90, 69, 126, 75
  • 6, 6, 24, 24, 60, 54, 102, 60, 144, 108
  • 6, 8, 22, 20, 56, 48, 111, 73, 142, 94
span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

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

Dimensionality: 2

Formula: Al7 F12 H6 O14 P2 (Al7 F12 H6 O14 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 10, 27, 26, 69, 52, 125, 89
  • 1, 3, 3, 12, 15, 36, 30, 90, 69, 126
  • 2, 8, 7, 19, 20, 56, 48, 111, 73, 142
  • 2, 10, 10, 29, 29, 72, 56, 109, 73, 161
  • 2, 10, 12, 29, 25, 74, 61, 123, 75, 152
  • 3, 10, 10, 27, 26, 69, 52, 125, 89, 165
  • 4, 3, 12, 15, 36, 30, 90, 69, 126, 75
  • 6, 6, 24, 24, 60, 54, 102, 60, 144, 108
  • 6, 8, 22, 20, 56, 48, 111, 73, 142, 94
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

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

Dimensionality: 2

Formula: Al3 H6 O14 P2 (Al3 H6 O14 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 14, 25, 27, 49, 48, 71, 63
  • 1, 3, 3, 12, 18, 30, 33, 57, 51, 72
  • 2, 8, 9, 17, 22, 40, 42, 66, 58, 86
  • 3, 10, 14, 25, 27, 49, 48, 71, 63, 95
  • 4, 3, 12, 18, 30, 33, 57, 51, 72, 66
  • 6, 10, 20, 22, 40, 42, 66, 58, 86, 76
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: Al3 H6 O14 P2 (Al3 H6 O14 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 14, 25, 27, 49, 48, 71, 63
  • 1, 3, 3, 12, 18, 30, 33, 57, 51, 72
  • 2, 8, 9, 17, 22, 40, 42, 66, 58, 86
  • 3, 10, 14, 25, 27, 49, 48, 71, 63, 95
  • 4, 3, 12, 18, 30, 33, 57, 51, 72, 66
  • 6, 10, 20, 22, 40, 42, 66, 58, 86, 76
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: Al3 H6 O14 P2 (Al3 H6 O14 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 14, 25, 27, 49, 48, 71, 63
  • 1, 3, 3, 12, 18, 30, 33, 57, 51, 72
  • 2, 8, 9, 17, 22, 40, 42, 66, 58, 86
  • 3, 10, 14, 25, 27, 49, 48, 71, 63, 95
  • 4, 3, 12, 18, 30, 33, 57, 51, 72, 66
  • 6, 10, 20, 22, 40, 42, 66, 58, 86, 76
span 1 {1 1 1}