Structure 4002797

4002795 << 4002797 >> 4002799
Original COD entry Download CIF Download DOT

Citation: Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping (2016). Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors. Chemistry of Materials, 28, pp. 4024-.

Formula: Al6 N48 Si30 Y2

Cell parameters:

  • a = 7.87543196 Å
  • b = 7.90352015 Å
  • c = 17.19506399 Å
  • α = 90.20011830°
  • β = 90.11368272°
  • γ = 119.81165336°

List type: noninterleaving

List: 3D

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span 1 {1 1 1}
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Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Al6 N48 Si30 Y2 (Al3 N24 Si15 Y)

Multiplicity: 1

Coordination sequences:

  • 3, 9, 15, 36, 81, 135, 152, 272, 360, 455
  • 3, 9, 15, 38, 63, 110, 156, 252, 309, 435
  • 3, 9, 15, 38, 63, 112, 153, 245, 305, 448
  • 3, 9, 15, 38, 63, 114, 152, 248, 310, 450
  • 3, 9, 16, 39, 55, 107, 161, 208, 304, 402
  • 3, 9, 17, 46, 74, 117, 178, 286, 325, 460
  • 3, 9, 17, 47, 73, 118, 183, 281, 326, 451
  • 3, 9, 17, 47, 76, 128, 188, 287, 342, 470
  • 3, 9, 18, 38, 66, 108, 143, 280, 309, 415
  • 3, 9, 18, 38, 66, 111, 150, 249, 323, 408
  • 3, 9, 21, 56, 73, 127, 209, 280, 340, 455
  • 3, 9, 21, 59, 92, 139, 214, 282, 355, 428
  • 3, 10, 24, 47, 64, 138, 180, 254, 345, 464
  • 3, 10, 24, 48, 64, 135, 176, 253, 349, 446
  • 3, 10, 24, 48, 77, 134, 189, 268, 344, 459
  • 3, 10, 24, 48, 77, 134, 190, 262, 341, 460
  • 3, 10, 24, 48, 80, 141, 193, 274, 355, 463
  • 3, 10, 24, 49, 65, 136, 180, 263, 348, 445
  • 3, 10, 24, 54, 84, 139, 197, 279, 340, 446
  • 3, 10, 27, 47, 60, 141, 181, 258, 345, 444
  • 3, 10, 27, 47, 62, 147, 184, 257, 355, 456
  • 3, 10, 27, 47, 62, 149, 185, 257, 352, 458
  • 3, 11, 25, 54, 85, 147, 191, 267, 339, 453
  • 3, 11, 26, 62, 90, 148, 214, 277, 354, 455
  • 3, 11, 27, 61, 94, 152, 209, 286, 372, 433
  • 3, 11, 27, 64, 90, 149, 209, 293, 357, 459
  • 3, 11, 28, 74, 98, 152, 238, 299, 373, 472
  • 3, 11, 33, 59, 96, 171, 212, 279, 380, 471
  • 3, 12, 34, 56, 93, 167, 214, 281, 358, 472
  • 3, 12, 34, 61, 98, 169, 213, 280, 376, 467
  • 3, 12, 45, 73, 88, 185, 252, 295, 399, 502
  • 3, 12, 45, 73, 115, 187, 249, 309, 374, 510
  • 3, 12, 51, 75, 93, 190, 248, 285, 396, 502
  • 3, 13, 54, 83, 114, 193, 263, 310, 376, 520
  • 4, 8, 21, 41, 82, 120, 195, 247, 374, 460
  • 4, 8, 21, 41, 83, 115, 192, 248, 360, 451
  • 4, 8, 21, 41, 83, 117, 195, 250, 367, 451
  • 4, 8, 23, 37, 67, 98, 188, 228, 338, 421
  • 4, 8, 23, 37, 68, 98, 185, 226, 338, 419
  • 4, 8, 23, 37, 69, 97, 188, 228, 345, 420
  • 4, 8, 23, 39, 77, 115, 179, 257, 360, 414
  • 4, 8, 23, 39, 78, 117, 187, 250, 366, 431
  • 4, 8, 23, 39, 79, 117, 190, 257, 367, 434
  • 4, 9, 28, 40, 74, 129, 192, 228, 362, 427
  • 4, 9, 29, 42, 83, 145, 196, 246, 378, 447
  • 4, 9, 29, 42, 84, 144, 197, 249, 377, 450
  • 4, 9, 33, 47, 90, 139, 209, 263, 357, 448
  • 4, 9, 33, 48, 88, 139, 209, 274, 371, 433
  • 4, 9, 33, 48, 89, 143, 216, 278, 369, 443
  • 4, 9, 33, 54, 95, 145, 223, 282, 345, 463
  • 4, 9, 35, 57, 104, 149, 217, 300, 363, 446
  • 4, 9, 35, 57, 105, 151, 217, 308, 370, 448
  • 4, 20, 30, 53, 109, 165, 194, 299, 395, 483
  • 4, 20, 30, 54, 110, 164, 198, 284, 377, 473
  • 4, 20, 31, 54, 108, 163, 188, 289, 388, 471
  • 4, 21, 26, 48, 101, 156, 179, 275, 365, 479
  • 4, 21, 31, 61, 114, 164, 204, 291, 393, 484
  • 4, 21, 32, 61, 118, 164, 216, 304, 404, 493
  • 4, 21, 32, 63, 117, 166, 220, 311, 409, 493
  • 4, 21, 32, 63, 117, 170, 212, 296, 390, 480
  • 4, 21, 33, 64, 117, 168, 211, 298, 394, 497
  • 4, 21, 40, 61, 120, 192, 210, 288, 415, 499
  • 4, 22, 28, 54, 105, 173, 206, 260, 383, 484
  • 4, 22, 33, 70, 117, 168, 222, 287, 388, 485
  • 4, 22, 42, 70, 123, 187, 230, 288, 408, 512
  • 4, 22, 42, 72, 127, 195, 229, 300, 424, 514
  • 5, 18, 36, 65, 126, 160, 230, 321, 390, 499
  • 5, 18, 36, 74, 128, 174, 243, 308, 399, 496
  • 5, 19, 33, 46, 110, 144, 203, 277, 382, 479
  • 5, 19, 33, 48, 118, 149, 205, 296, 395, 479
  • 5, 19, 33, 48, 119, 147, 205, 293, 394, 484
  • 5, 19, 38, 66, 118, 158, 235, 312, 393, 499
  • 5, 19, 38, 66, 118, 159, 231, 307, 389, 499
  • 5, 19, 38, 69, 126, 164, 240, 326, 397, 501
  • 5, 19, 39, 75, 125, 171, 247, 304, 392, 498
  • 5, 19, 39, 77, 131, 173, 245, 321, 402, 482
  • 5, 20, 42, 57, 122, 192, 216, 281, 404, 532
  • 5, 20, 42, 59, 132, 192, 217, 299, 414, 531
  • 6, 21, 46, 70, 121, 177, 244, 310, 406, 515
  • 6, 21, 46, 71, 121, 184, 247, 318, 412, 514
  • 6, 21, 46, 80, 130, 187, 250, 311, 408, 502
  • 6, 21, 46, 80, 132, 188, 250, 313, 409, 512
  • 6, 22, 41, 63, 136, 184, 221, 314, 416, 521
  • 6, 22, 47, 75, 124, 190, 244, 298, 408, 515
  • 16, 26, 40, 95, 147, 183, 246, 343, 442, 532
  • 16, 27, 41, 94, 149, 179, 241, 343, 442, 523
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