Phosphorus
Wyckoff R W G
Crystal Structures 1 (1963) 7-83
Second edition. Interscience Publishers, New York, New York
Sample known as black phosphorus
_database_code_amcsd 0011250
3.31 4.38 10.50 90 90 90 Bmab
atom x y z
P 0 .090 .098
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013008
3.3133 10.473 4.374 90 90 90 Cmca
atom x y z
P 0 .1034 .0806
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = .41 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013009
3.3121 10.408 4.350 90 90 90 Cmca
atom x y z
P 0 .1032 .0798
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = .71 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013010
3.3105 10.363 4.335 90 90 90 Cmca
atom x y z
P 0 .1045 .0793
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 1.02 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013011
3.3109 10.319 4.317 90 90 90 Cmca
atom x y z
P 0 .1045 .0794
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 1.27 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013012
3.3109 10.209 4.302 90 90 90 Cmca
atom x y z
P 0 .1052 .0779
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 1.51 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013013
3.3116 10.260 4.289 90 90 90 Cmca
atom x y z
P 0 .1050 .0782
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 1.73 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013014
3.3114 10.233 4.278 90 90 90 Cmca
atom x y z
P 0 .1053 .0772
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 1.93 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013015
3.3111 10.215 4.266 90 90 90 Cmca
atom x y z
P 0 .1054 .0771
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 2.16 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013016
3.3114 10.189 4.254 90 90 90 Cmca
atom x y z
P 0 .1053 .0769
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 2.43 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013017
3.3117 10.158 4.243 90 90 90 Cmca
atom x y z
P 0 .1054 .0747
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Phosphorus
Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G
Journal of Chemical Physics 71 (1979) 1718-1721
Effect of pressure on bonding in black phosphorus
Locality: synthetic
Sample: at P = 2.66 GPa
Note: pressures calculated from the measured unit cell volume
_database_code_amcsd 0013018
3.3120 10.140 4.229 90 90 90 Cmca
atom x y z
P 0 .1053 .0749
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Phosphorus
Simon A, Borrmann H, Craubner H
Phosphorus and Sulfur and the Related Elements 30 (1987) 507-510
Crystal structure of ordered white phosphorus (beta-P)
Locality: synthetic
Sample: at T = 158.15 K
Note: beta phase; transforms from alpha phase at T = 196.75 K
_database_code_amcsd 0014997
11.450 5.503 11.261 71.84 90.37 71.56 P-1
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(2,3) U(1,3) U(1,2)
P1 .67802 .39370 .00247 .0515 .0360 .0496 .0587 -.0196 -.0048 .0005
P2 .52922 .88513 .17722 .0520 .0639 .0528 .0305 .0003 -.0045 -.0218
P3 .18938 .92202 .05123 .0513 .0660 .0445 .0485 -.0294 -.0047 -.0115
P4 .55505 .84909 .37360 .0501 .0640 .0472 .0462 -.0289 -.0002 -.0151
P5 .02641 .34671 .31490 .0496 .0392 .0627 .0501 -.0222 -.0093 -.0180
P6 .87186 .35722 .01126 .0506 .0510 .0486 .0628 -.0191 .0051 -.0303
P7 .67157 .53535 .30808 .0560 .0409 .0472 .0709 -.0251 .0006 .0026
P8 .47750 .58127 .31956 .0516 .0534 .0467 .0567 -.0076 -.0017 -.0291
P9 .13526 .55621 .37416 .0480 .0598 .0353 .0576 -.0216 .0057 -.0216
P10 .81346 .05347 .14518 .0526 .0644 .0481 .0323 -.0001 -.0008 -.0148
P11 .14244 .15713 .49419 .0480 .0595 .0465 .0305 -.0040 -.0004 -.0163
P12 .22608 .20514 .31893 .0505 .0439 .0523 .0515 -.0239 .0135 -.0041
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Phosphorus
Crichton W A, Mezouar M, Monaco G, Falconi S
Powder Diffraction 18 (2003) 155-158
Phosphorus: new in situ powder data from large-volume apparatus
Locality: synthetic
Sample: at P = 1.2 GPa and T = 1100 K
_database_code_amcsd 0015324
3.3199 10.3678 4.3154 90 90 90 Cmca
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P .5 .10437 .9179 .0481 .0401 .0773 0 0 -.059
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