B-IncStrDB

Structure modulations in nonlinear optical (NLO) materials Cs₂TB₄O₉ (T=Ge,Si)

Authors:

Zhou, Zhengyang; Xu, Xiang; Fei, Rao; Mao, Jianggao; Sun, Junliang

Journal:

Acta Crystallographica, Section B 72 194-200 (2016)

DOI:

https://doi.org/10.1107/S2052520615019733

B-IncStrDB ID: 11442EEvkyY Entry date: 2016-04-04 Last revision: 2022-01-19

Cs2GeB4O9

Chemical data

Structural Formula Sum: B4 Cs2 Ge1 O9 [ Help ]

Formula weight: 525.6 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: I2(αβ0)0 [ Help ]

Symmetry operations of the superspace group: (Show/hide table) [ Help ]

Operation code	Operation in algebraic form
1	x1,x2,x3,x4
2	-x1,-x2,x3,-x4
3	x1+1/2,x2+1/2,x3+1/2,x4
4	-x1+1/2,-x2+1/2,x3+1/2,-x4

a: 6.7863(10) Å [ Help ]

b: 6.7914(10) Å [ Help ]

c: 9.9686(15) Å [ Help ]

α: 90 ° [ Help ]

β: 90 ° [ Help ]

γ: 90.135(12) ° [ Help ]

Volume: 459.44(12) Å³ [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: (Show/hide table) [ Help ]

Wave vector id	q_x	q_y	q_z
1	-0.482300	0.119200	0.000000

Z: 2 [ Help ]

Cell determination reflection Nb.: 3052 [ Help ]

θ(min) for cell determination: 3.62 ° [ Help ]

θ(max) for cell determination: 29.16 ° [ Help ]

Cell measurement temperature: 100.00(10) K [ Help ]

μ: 11.17 mm^-1 [ Help ]

Absorption correction type: multi-scan [ Help ]

Absorption correction remarks: CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. [ Help ]

Minimum transmission factor: 0.779 [ Help ]

Maximum transmission factor: 1 [ Help ]

Refinement details

Total nb. of reflections: 4440 [ Help ]

Nb. of observed reflections: 3004 [ Help ]

Intense reflections threshold: I>3σ(I) [ Help ]

Refinement based on: F [ Help ]

R(obs): 0.0503 [ Help ]

wR(obs): 0.0582 [ Help ]

R(all): 0.0768 [ Help ]

wR(all): 0.0649 [ Help ]

S(all): 1.69 [ Help ]

S(obs): 1.85 [ Help ]

Nb. of reflections: 4440 [ Help ]

Nb. of parameters: 177 [ Help ]

Number of restraints: 13 [ Help ]

Number of constraints: 6 [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ²(F)+0.0001F²) [ Help ]

Δ/σ(max): 0.0079 [ Help ]

Δ/σ(mean): 0.0018 [ Help ]

Δρ(max): 3.39 e_Å^-3 [ Help ]

Δρ(min): -5.58 e_Å^-3 [ Help ]

Extinction method: none [ Help ]

Absolute structure remarks: 1517 of Friedel pairs used in the refinement [ Help ]

Structural Information

Average Structure: (Show/hide table) [ Help ]

Atom site label	Atom symbol	x	y	z	ADP type	Uiso/equiv	Symmetry multiplicity	Occupancy	Coords from (d)iffraction or (c)alculated	Coords restraints or constraints	Disordered cluster	Disordered group
Cs1	Cs	0	0	0.00120(10)	Uani	0.00767(17)	2	1	d	?	?	?
Cs2	Cs	-0.5	0	0.24904(7)	Uani	0.0083(2)	2	1	d	?	?	?
Ge1	Ge	0	-0.5	0.25095(17)	Uani	0.0041(4)	2	1	d	?	?	?
O5b	O	0	0	0.6619(13)	Uiso	0.0029(14)	2	0.5	d	?	?	?
O5a	O	0	0	0.3372(12)	Uiso	0.0029(14)	2	0.5	d	?	?	?
O1	O	-0.8417(8)	-0.6483(7)	0.1559(5)	Uiso	0.0068(11)	4	1	d	?	?	?
O4	O	-0.7269(6)	-0.3979(5)	0.0047(8)	Uiso	0.0058(9)	4	1	d	?	?	?
O2	O	-0.3523(8)	-0.8399(7)	0.8419(5)	Uiso	0.0070(11)	4	1	d	?	?	?
O3	O	-0.6055(6)	-0.7311(5)	0.9930(8)	Uiso	0.0062(9)	4	1	d	?	?	?
B2a	B	-0.1661(17)	-0.0615(16)	0.5797(12)	Uiso	0.003(2)	4	0.5	d	?	?	?
B1a	B	0.0579(18)	-0.1663(16)	0.4192(13)	Uiso	0.004(2)	4	0.5	d	?	?	?
B2b	B	-0.227(2)	-0.0876(17)	0.5555(14)	Uiso	0.006(3)	4	0.5	d	?	?	?
B1b	B	0.0886(19)	-0.2241(19)	0.4423(14)	Uiso	0.007(3)	4	0.5	d	?	?	?

ADP components: (Show/hide table) [ Help ]

Atom site label	Atom site symbol	U11	U22	U33	U12
Cs1	Cs	0.0053(3)	0.0056(3)	0.0121(3)	0.00035(19)
Cs2	Cs	0.0106(4)	0.0092(4)	0.0050(3)	0.0006(3)
Ge1	Ge	0.0062(7)	0.0042(6)	0.0020(6)	0.0002(5)

Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): (Show/hide table) [ Help ]

Wave vector code	q_1
1	1
2	2

Occupation crenel coefficients: (Show/hide table) [ Help ]

Atom site label	Center (x0)	Width
O5b	0.5	0.5
O5a	0	0.5
B2a	0.5728(9)	0.5
B1a	-0.0478(9)	0.5
B2b	0.0989(10)	0.5
B1b	0.4305(10)	0.5

Definition of the displacive (translational) Fourier series: (Show/hide table) [ Help ]

Modulation code	Atom site label	Displacement axis	Wave vector code
Cs1x1	Cs1	x	1
Cs1y1	Cs1	y	1
Cs1z1	Cs1	z	1
Cs1x2	Cs1	x	2
Cs1y2	Cs1	y	2
Cs1z2	Cs1	z	2
Cs2x1	Cs2	x	1
Cs2y1	Cs2	y	1
Cs2z1	Cs2	z	1
Cs2x2	Cs2	x	2
Cs2y2	Cs2	y	2
Cs2z2	Cs2	z	2
Ge1x1	Ge1	x	1
Ge1y1	Ge1	y	1
Ge1z1	Ge1	z	1
Ge1x2	Ge1	x	2
Ge1y2	Ge1	y	2
Ge1z2	Ge1	z	2
O1x1	O1	x	1
O1y1	O1	y	1
O1z1	O1	z	1
O1x2	O1	x	2
O1y2	O1	y	2
O1z2	O1	z	2
O4x1	O4	x	1
O4y1	O4	y	1
O4z1	O4	z	1
O4x2	O4	x	2
O4y2	O4	y	2
O4z2	O4	z	2
O2x1	O2	x	1
O2y1	O2	y	1
O2z1	O2	z	1
O2x2	O2	x	2
O2y2	O2	y	2
O2z2	O2	z	2
O3x1	O3	x	1
O3y1	O3	y	1
O3z1	O3	z	1
O3x2	O3	x	2
O3y2	O3	y	2
O3z2	O3	z	2

Displacive (translational) Fourier coefficients: (Show/hide table) [ Help ]

Modulation code	Cosine coefficient	Sine coefficient
Cs1x1	0	0.00636(14)
Cs1y1	0	-0.03334(12)
Cs1z1	0.02157(10)	0
Cs1x2	0	0.00066(16)
Cs1y2	0	0.00123(12)
Cs1z2	0.00108(10)	0
Cs2x1	0	0.01377(13)
Cs2y1	0	-0.00300(15)
Cs2z1	-0.00416(11)	0
Cs2x2	0	0.00036(15)
Cs2y2	0	0.00230(12)
Cs2z2	0.00031(10)	0
Ge1x1	0	-0.0187(2)
Ge1y1	0	-0.0084(2)
Ge1z1	0.00445(17)	0
Ge1x2	0	0.0013(2)
Ge1y2	0	-0.00156(19)
Ge1z2	0.00055(16)	0
O1x1	-0.0038(9)	-0.0182(9)
O1y1	0.0054(8)	-0.0125(8)
O1z1	0.0003(6)	-0.0018(6)
O1x2	0.0033(11)	0.0017(11)
O1y2	-0.0005(9)	-0.0002(9)
O1z2	0.0012(7)	-0.0004(7)
O4x1	0.0099(9)	0.0017(9)
O4y1	0.0075(7)	-0.0091(7)
O4z1	0.0104(6)	0.0113(6)
O4x2	0.0002(11)	0.0001(11)
O4y2	-0.0007(8)	0.0003(8)
O4z2	0.0010(6)	-0.0006(6)
O2x1	-0.0082(9)	-0.0022(9)
O2y1	0.0042(8)	-0.0187(8)
O2z1	-0.0002(6)	-0.0016(6)
O2x2	-0.0012(11)	0.0007(11)
O2y2	0.0008(8)	-0.0005(8)
O2z2	0.0012(7)	0.0014(7)
O3x1	-0.0048(8)	-0.0059(8)
O3y1	-0.0031(7)	-0.0116(7)
O3z1	0.0100(6)	0.0014(6)
O3x2	-0.0011(11)	-0.0018(10)
O3y2	-0.0009(8)	0.0005(8)
O3z2	0.0003(6)	0.0000(6)

Displacive (translational) Legendre coefficients: (Show/hide table) [ Help ]

Atom site label	Displacement axis	Polynomial order	Polynomial coeff.
O5b	x	1	0.004(3)
O5b	y	1	0.019(3)
O5b	z	1	0
O5b	x	2	0
O5b	y	2	0
O5b	z	2	0.002(4)
O5b	x	3	-0.002(9)
O5b	y	3	-0.003(9)
O5b	z	3	0
O5b	x	4	0
O5b	y	4	0
O5b	z	4	0.011(12)
O5a	x	1	-0.010(4)
O5a	y	1	-0.015(3)
O5a	z	1	0
O5a	x	2	0
O5a	y	2	0
O5a	z	2	0.006(4)
O5a	x	3	-0.006(11)
O5a	y	3	-0.008(8)
O5a	z	3	0
O5a	x	4	0
O5a	y	4	0
O5a	z	4	0.005(15)
B2a	x	1	0.004(3)
B2a	y	1	0.015(2)
B2a	z	1	0.0000(18)
B2a	x	2	-0.006(4)
B2a	y	2	-0.003(3)
B2a	z	2	0.005(3)
B2a	x	3	0.001(6)
B2a	y	3	-0.004(5)
B2a	z	3	0.001(4)
B2a	x	4	0.007(8)
B2a	y	4	0.000(6)
B2a	z	4	0.003(5)
B1a	x	1	-0.008(3)
B1a	y	1	-0.013(2)
B1a	z	1	0.000(2)
B1a	x	2	0.008(4)
B1a	y	2	-0.003(4)
B1a	z	2	-0.002(3)
B1a	x	3	0.004(6)
B1a	y	3	-0.001(5)
B1a	z	3	0.000(5)
B1a	x	4	-0.001(9)
B1a	y	4	-0.002(7)
B1a	z	4	0.006(7)
B2b	x	1	-0.010(4)
B2b	y	1	-0.015(3)
B2b	z	1	-0.001(3)
B2b	x	2	0.004(8)
B2b	y	2	0.004(5)
B2b	z	2	-0.004(5)
B2b	x	3	0.007(11)
B2b	y	3	0.002(6)
B2b	z	3	0.004(8)
B2b	x	4	0.01(3)
B2b	y	4	0.007(10)
B2b	z	4	0.004(19)
B1b	x	1	0.004(3)
B1b	y	1	0.014(3)
B1b	z	1	0.002(2)
B1b	x	2	0.000(5)
B1b	y	2	0.003(9)
B1b	z	2	0.005(6)
B1b	x	3	0.000(7)
B1b	y	3	0.002(10)
B1b	z	3	-0.004(7)
B1b	x	4	-0.004(15)
B1b	y	4	0.01(4)
B1b	z	4	0.00(2)

Cs2SiB4O9

Chemical data

Structural Formula Sum: B4 Cs2 O9 Si1 [ Help ]

Formula weight: 481.1 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: I2(αβ0)0 [ Help ]

Symmetry operations of the superspace group: (Show/hide table) [ Help ]

Operation code	Operation in algebraic form
1	x1,x2,x3,x4
2	-x1,-x2,x3,-x4
3	x1+1/2,x2+1/2,x3+1/2,x4
4	-x1+1/2,-x2+1/2,x3+1/2,-x4

a: 6.7489(10) Å [ Help ]

b: 6.7479(13) Å [ Help ]

c: 9.8894(13) Å [ Help ]

α: 90 ° [ Help ]

β: 90 ° [ Help ]

γ: 90.029(14) ° [ Help ]

Volume: 450.37(12) Å³ [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: (Show/hide table) [ Help ]

Wave vector id	q_x	q_y	q_z
1	-0.478500	0.175300	0.000000

Z: 2 [ Help ]

Cell determination reflection Nb.: 2986 [ Help ]

θ(min) for cell determination: 3.53 ° [ Help ]

θ(max) for cell determination: 28.81 ° [ Help ]

Cell measurement temperature: 180.01(10) K [ Help ]

μ: 8.255 mm^-1 [ Help ]

Absorption correction type: multi-scan [ Help ]

Minimum transmission factor: 0.93 [ Help ]

Maximum transmission factor: 1 [ Help ]

Refinement details

Total nb. of reflections: 4933 [ Help ]

Nb. of observed reflections: 3155 [ Help ]

Intense reflections threshold: I>3σ(I) [ Help ]

Refinement based on: F [ Help ]

R(obs): 0.0362 [ Help ]

wR(obs): 0.0385 [ Help ]

R(all): 0.0651 [ Help ]

wR(all): 0.0474 [ Help ]

S(all): 1.25 [ Help ]

S(obs): 1.28 [ Help ]

Nb. of reflections: 4933 [ Help ]

Nb. of parameters: 178 [ Help ]

Number of restraints: 14 [ Help ]

Number of constraints: 6 [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ²(F)+0.0001F²) [ Help ]

Δ/σ(max): 0.0368 [ Help ]

Δ/σ(mean): 0.0052 [ Help ]

Δρ(max): 2.57 e_Å^-3 [ Help ]

Δρ(min): -2.47 e_Å^-3 [ Help ]

Extinction method: none [ Help ]

Absolute structure remarks: 2223 of Friedel pairs used in the refinement [ Help ]

Structural Information

Average Structure: (Show/hide table) [ Help ]

Atom site label	Atom symbol	x	y	z	ADP type	Uiso/equiv	Symmetry multiplicity	Occupancy	Coords from (d)iffraction or (c)alculated	Coords restraints or constraints	Disordered cluster	Disordered group
Cs1	Cs	0	0	0.00139(7)	Uani	0.01290(14)	2	1	d	?	?	?
Cs2	Cs	-0.5	0	0.24894(8)	Uani	0.0196(3)	2	1	d	?	?	?
Si1	Si	0	-0.5	0.2467(5)	Uani	0.0043(8)	2	1	d	?	?	?
O5b	O	0	0	0.6640(10)	Uiso	0.0065(8)	2	0.5	d	?	?	?
O5a	O	0	0	0.3347(10)	Uiso	0.0065(8)	2	0.5	d	?	?	?
O1	O	-0.8470(8)	-0.6289(8)	0.1598(6)	Uiso	0.0091(12)	4	1	d	?	?	?
O4	O	-0.7229(7)	-0.3871(7)	0.0051(6)	Uiso	0.0099(10)	4	1	d	?	?	?
O2	O	-0.3705(8)	-0.8463(7)	0.8405(6)	Uiso	0.0063(11)	4	1	d	?	?	?
O3	O	-0.6143(8)	-0.7262(7)	0.9957(6)	Uiso	0.0106(10)	4	1	d	?	?	?
B2a	B	-0.1696(15)	-0.0558(14)	0.5840(10)	Uiso	0.009(2)	4	0.5	d	?	?	?
B1a	B	0.0527(14)	-0.1691(14)	0.4188(10)	Uiso	0.0075(19)	4	0.5	d	?	?	?
B2b	B	-0.2264(14)	-0.0773(13)	0.5584(9)	Uiso	0.0066(18)	4	0.5	d	?	?	?
B1b	B	0.0789(15)	-0.2286(16)	0.4439(10)	Uiso	0.010(2)	4	0.5	d	?	?	?

ADP components: (Show/hide table) [ Help ]

Atom site label	Atom site symbol	U11	U22	U33	U12
Cs1	Cs	0.0093(3)	0.0109(2)	0.0185(2)	-0.0001(2)
Cs2	Cs	0.0237(6)	0.0227(5)	0.01224(17)	0.0017(5)
Si1	Si	0.0031(15)	0.0081(16)	0.0018(6)	-0.0049(15)

Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): (Show/hide table) [ Help ]

Wave vector code	q_1
1	1
2	2

Occupation crenel coefficients: (Show/hide table) [ Help ]

Atom site label	Center (x0)	Width
O5b	0.5	0.5
O5a	0	0.5
B2a	0.5714(8)	0.5
B1a	-0.0549(7)	0.5
B2b	0.0948(7)	0.5
B1b	0.4222(8)	0.5

Definition of the displacive (translational) Fourier series: (Show/hide table) [ Help ]

Modulation code	Atom site label	Displacement axis	Wave vector code
Cs1x1	Cs1	x	1
Cs1y1	Cs1	y	1
Cs1z1	Cs1	z	1
Cs1x2	Cs1	x	2
Cs1y2	Cs1	y	2
Cs1z2	Cs1	z	2
Cs2x1	Cs2	x	1
Cs2y1	Cs2	y	1
Cs2z1	Cs2	z	1
Cs2x2	Cs2	x	2
Cs2y2	Cs2	y	2
Cs2z2	Cs2	z	2
Si1x1	Si1	x	1
Si1y1	Si1	y	1
Si1z1	Si1	z	1
Si1x2	Si1	x	2
Si1y2	Si1	y	2
Si1z2	Si1	z	2
O1x1	O1	x	1
O1y1	O1	y	1
O1z1	O1	z	1
O1x2	O1	x	2
O1y2	O1	y	2
O1z2	O1	z	2
O4x1	O4	x	1
O4y1	O4	y	1
O4z1	O4	z	1
O4x2	O4	x	2
O4y2	O4	y	2
O4z2	O4	z	2
O2x1	O2	x	1
O2y1	O2	y	1
O2z1	O2	z	1
O2x2	O2	x	2
O2y2	O2	y	2
O2z2	O2	z	2
O3x1	O3	x	1
O3y1	O3	y	1
O3z1	O3	z	1
O3x2	O3	x	2
O3y2	O3	y	2
O3z2	O3	z	2

Displacive (translational) Fourier coefficients: (Show/hide table) [ Help ]

Modulation code	Cosine coefficient	Sine coefficient
Cs1x1	0	0.00585(12)
Cs1y1	0	-0.02809(15)
Cs1z1	0.02111(9)	0
Cs1x2	0	-0.00191(12)
Cs1y2	0	-0.00068(10)
Cs1z2	0.00164(7)	0
Cs2x1	0	0.00754(10)
Cs2y1	0	0.00272(12)
Cs2z1	-0.00697(8)	0
Cs2x2	0	0.00225(14)
Cs2y2	0	0.00075(11)
Cs2z2	0.00006(7)	0
Si1x1	0	-0.0166(4)
Si1y1	0	-0.0077(5)
Si1z1	0.0032(3)	0
Si1x2	0	0.0008(5)
Si1y2	0	-0.0032(4)
Si1z2	0.0014(3)	0
O1x1	-0.0048(6)	-0.0170(6)
O1y1	0.0030(6)	-0.0105(6)
O1z1	-0.0008(4)	-0.0025(4)
O1x2	0.0022(8)	-0.0002(8)
O1y2	-0.0001(7)	-0.0005(7)
O1z2	0.0014(5)	-0.0002(5)
O4x1	0.0089(6)	0.0003(6)
O4y1	0.0040(5)	-0.0050(5)
O4z1	0.0081(3)	0.0112(4)
O4x2	0.0008(9)	0.0028(9)
O4y2	-0.0001(6)	-0.0004(6)
O4z2	0.0015(5)	0.0000(5)
O2x1	-0.0081(6)	-0.0013(6)
O2y1	0.0040(5)	-0.0122(6)
O2z1	-0.0008(3)	-0.0022(3)
O2x2	-0.0025(9)	0.0005(9)
O2y2	0.0000(7)	-0.0008(7)
O2z2	0.0001(5)	0.0006(5)
O3x1	-0.0039(6)	-0.0065(6)
O3y1	-0.0020(5)	-0.0062(5)
O3z1	0.0097(4)	-0.0002(3)
O3x2	0.0009(8)	-0.0020(8)
O3y2	-0.0012(7)	-0.0016(7)
O3z2	-0.0003(5)	-0.0001(5)

Displacive (translational) Legendre coefficients: (Show/hide table) [ Help ]

Atom site label	Displacement axis	Polynomial order	Polynomial coeff.
O5b	x	1	0.004(2)
O5b	y	1	0.013(3)
O5b	z	1	0
O5b	x	2	0
O5b	y	2	0
O5b	z	2	0.000(3)
O5b	x	3	0.000(7)
O5b	y	3	0.003(7)
O5b	z	3	0
O5b	x	4	0
O5b	y	4	0
O5b	z	4	-0.002(15)
O5a	x	1	-0.008(2)
O5a	y	1	-0.008(3)
O5a	z	1	0
O5a	x	2	0
O5a	y	2	0
O5a	z	2	0.000(4)
O5a	x	3	0.010(10)
O5a	y	3	0.000(8)
O5a	z	3	0
O5a	x	4	0
O5a	y	4	0
O5a	z	4	0.000(17)
B2a	x	1	0.002(2)
B2a	y	1	0.009(2)
B2a	z	1	0.0008(14)
B2a	x	2	-0.005(3)
B2a	y	2	0.002(3)
B2a	z	2	0.005(2)
B2a	x	3	0.002(5)
B2a	y	3	-0.001(4)
B2a	z	3	0.000(3)
B2a	x	4	0.000(9)
B2a	y	4	-0.004(6)
B2a	z	4	0.000(5)
B1a	x	1	-0.010(2)
B1a	y	1	-0.0088(19)
B1a	z	1	-0.0021(15)
B1a	x	2	0.007(4)
B1a	y	2	-0.001(3)
B1a	z	2	0.001(3)
B1a	x	3	0.004(5)
B1a	y	3	0.000(5)
B1a	z	3	0.000(4)
B1a	x	4	-0.002(9)
B1a	y	4	0.003(7)
B1a	z	4	0.003(7)
B2b	x	1	-0.009(2)
B2b	y	1	-0.0089(12)
B2b	z	1	-0.0014(14)
B2b	x	2	0.006(5)
B2b	y	2	0.006(2)
B2b	z	2	-0.001(3)
B2b	x	3	-0.007(7)
B2b	y	3	-0.001(3)
B2b	z	3	-0.005(5)
B2b	x	4	0.001(19)
B2b	y	4	0.001(5)
B2b	z	4	0.002(12)
B1b	x	1	0.006(2)
B1b	y	1	0.007(2)
B1b	z	1	0.0018(16)
B1b	x	2	-0.003(3)
B1b	y	2	-0.006(7)
B1b	z	2	0.007(4)
B1b	x	3	-0.001(5)
B1b	y	3	-0.002(8)
B1b	z	3	0.003(5)
B1b	x	4	-0.002(10)
B1b	y	4	0.01(3)
B1b	z	4	-0.005(16)

Structure modulations in nonlinear optical (NLO) materials Cs₂TB₄O₉ (T=Ge,Si)

Zhou, Zhengyang; Xu, Xiang; Fei, Rao; Mao, Jianggao; Sun, Junliang

Acta Crystallographica, Section B 72 194-200 (2016)

https://doi.org/10.1107/S2052520615019733

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Cs2GeB4O9

Chemical data

Crystallographic data and experimental details

Refinement details

Structural Information

Cs2SiB4O9

Chemical data

Crystallographic data and experimental details

Refinement details

Structural Information

Structure modulations in nonlinear optical (NLO) materials Cs2TB4O9 (T=Ge,Si)

Zhou, Zhengyang; Xu, Xiang; Fei, Rao; Mao, Jianggao; Sun, Junliang

Acta Crystallographica, Section B 72 194-200 (2016)

https://doi.org/10.1107/S2052520615019733

Download CIF

Open in JSmol

Cs2GeB4O9

Chemical data

Crystallographic data and experimental details

Refinement details

Structural Information

Cs2SiB4O9

Chemical data

Crystallographic data and experimental details

Refinement details

Structural Information

Structure modulations in nonlinear optical (NLO) materials Cs₂TB₄O₉ (T=Ge,Si)