B-IncStrDB

All the Disorder Mechanisms in the 13:58 Phases Come Together. Out of the Modulated Confusion Rises the Remarkable Phase Ce_12.60Cd_58.68(2)

Authors:

Ying Piao, Shu; Palatinus, Lukas; Lidin, Sven

Journal:

Inorganic Chemistry 47 1079-1086 (2008)

DOI:

https://dx.doi.org/10.1021/ic701962b

B-IncStrDB ID: MlNyLHhwteR Entry date: 2022-01-10 Last revision: 2022-01-10

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(I)

Chemical data

Structural Formula Sum: Cd58.682 Ce12.599 [ Help ]

Formula weight: 8361.8 Da [ Help ]

Crystallographic data and experimental details

Crystal system: orthorhombic [ Help ]

Superspace group name: Ccmm(α00)00s [ Help ]

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

Operation code	Operation in algebraic form
1	x1,x2,x3,x4
2	x1,1/2-x2,x3,x4
3	x1,x2,1/2-x3,1/2+x4
4	x1,1/2-x2,1/2-x3,1/2+x4
5	-x1,-x2,-x3,-x4
6	-x1,1/2+x2,-x3,-x4
7	-x1,-x2,1/2+x3,1/2-x4
8	-x1,1/2+x2,1/2+x3,1/2-x4
9	1/2+x1,1/2+x2,x3,x4
10	1/2+x1,-x2,x3,x4
11	1/2+x1,1/2+x2,1/2-x3,1/2+x4
12	1/2+x1,-x2,1/2-x3,1/2+x4
13	1/2-x1,1/2-x2,-x3,-x4
14	1/2-x1,x2,-x3,-x4
15	1/2-x1,1/2-x2,1/2+x3,1/2-x4
16	1/2-x1,x2,1/2+x3,1/2-x4

a: 27.2789(14) Å [ Help ]

b: 15.75920(10) Å [ Help ]

c: 15.5816(4) Å [ Help ]

α: 90 ° [ Help ]

β: 90 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 6698.4(4) Å³ [ Help ]

Modulation dimension: 1 [ Help ]

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

Wave vector id	q_x	q_y	q_z
1	0.66670	0.00000	0.00000

Z: 4 [ Help ]

μ: 26.503 mm^-1 [ Help ]

Absorption correction type: none [ Help ]

Minimum transmission factor: 0.35 [ Help ]

Maximum transmission factor: 1.26 [ Help ]

Experimental remarks: The maximum transmission factor is outside the bounds (>1) [ Help ]

Refinement details

Total nb. of reflections: 19149 [ Help ]

Nb. of observed reflections: 10494 [ Help ]

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

Refinement based on: F [ Help ]

R(obs): 0.0554 [ Help ]

wR(obs): 0.0574 [ Help ]

R(all): 0.0554 [ Help ]

wR(all): 0.0574 [ Help ]

S(all): 2.65 [ Help ]

S(obs): 2.65 [ Help ]

Nb. of reflections: 10494 [ Help ]

Nb. of parameters: 404 [ Help ]

Weighting scheme: sigma [ Help ]

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

Δ/σ(max): 0.0475 [ Help ]

Δ/σ(mean): 0.0013 [ Help ]

Δρ(max): 5.67 e_Å^-3 [ Help ]

Δρ(min): -4.89 e_Å^-3 [ Help ]

Extinction method: none [ 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
Ce1a	Ce	-0.02061(3)	0.43447(5)	-0.25	Uani	0.0137(3)	8	1	d	.	.	.
Ce1b	Ce	0.29458(4)	-0.25	-0.25	Uani	0.0124(4)	4	1	d	.	.	.
Ce2a	Ce	0.14714(2)	-0.06154(3)	-0.05258(4)	Uani	0.01186(18)	16	1	d	.	.	.
Ce2b	Ce	0.45511(3)	0.25	-0.05447(6)	Uani	0.0116(2)	8	1	d	.	.	.
Ce3a	Ce	-0.18734(4)	-0.06062(6)	-0.23197(13)	Uani	0.0206(6)	16	0.5	d	.	.	.
Ce3b	Ce	0.6267(3)	-0.25	-0.2821(7)	Uani	0.0179(5)	8	0.5	d	.	.	.
Ce4	Ce	0.25	0.25	0	Uani	0.0142(6)	4	0.5987(14)	d	.	.	.
Cd1a	Cd	0.56620(4)	0.90216(6)	-0.09580(7)	Uani	0.0205(4)	16	0.976(4)	d	.	.	.
Cd1b	Cd	0.26811(5)	-0.0861(2)	-0.10207(10)	Uani	0.0390(6)	16	0.5987(14)	d	.	.	.
Cd1b2	Cd	0.26795(5)	-0.11022(15)	-0.09900(11)	Uani	0.0192(6)	16	0.4013(14)	d	.	.	.
Cd1c	Cd	0.0726(4)	0.4636(7)	1.0908(12)	Uani	0.0277(8)	16	0.4013(14)	d	.	.	.
Cd1c2	Cd	0.0889(2)	0.4471(3)	1.1017(4)	Uani	0.0213(5)	16	0.5987(14)	d	.	.	.
Cd2	Cd	0.08202(6)	0.75	-0.75	Uani	0.0181(5)	4	1	d	.	.	.
Cd3	Cd	0.08248(4)	0.75	-0.09481(8)	Uani	0.0146(3)	8	1	d	.	.	.
Cd4a	Cd	0.20114(4)	0.10194(6)	-0.15644(7)	Uani	0.0254(3)	16	1	d	.	.	.
Cd4b	Cd	0.34777(5)	0.25	-0.15864(9)	Uani	0.0220(5)	8	1	d	.	.	.
Cd5a	Cd	0.15510(13)	0.3457(2)	0.9992(3)	Uani	0.0244(5)	16	0.5987(14)	d	.	.	.
Cd5a2	Cd	0.1654(5)	0.3854(9)	1.0582(13)	Uani	0.0505(10)	16	0.4013(14)	d	.	.	.
Cd5b	Cd	0.2587(3)	0.0540(5)	-0.0251(7)	Uani	0.0292(6)	16	0.5	d	.	.	.
Cd6a	Cd	0.20899(4)	-0.07506(7)	-0.25	Uani	0.0162(3)	8	1	d	.	.	.
Cd6b	Cd	0.43161(4)	0.35502(7)	-0.25	Uani	0.0193(4)	8	1	d	.	.	.
Cd6c	Cd	0.39263(4)	0.47136(6)	0.25	Uani	0.0180(3)	8	1	d	.	.	.
Cd7a	Cd	0.03052(3)	-0.40872(5)	-0.14002(6)	Uani	0.0172(2)	16	1	d	.	.	.
Cd7b	Cd	0.68816(4)	0.25	-0.14441(8)	Uani	0.0154(3)	8	1	d	.	.	.
Cd8a	Cd	-0.04765(3)	0.35230(5)	-0.05012(6)	Uani	0.0214(3)	16	1	d	.	.	.
Cd8b	Cd	0.35230(5)	-0.25	-0.05273(8)	Uani	0.0182(4)	8	1	d	.	.	.
Cd9a	Cd	-0.13135(3)	0.10111(5)	-0.15821(5)	Uani	0.0144(2)	16	1	d	.	.	.
Cd9b	Cd	0.51721(4)	-0.25	-0.15800(7)	Uani	0.0141(3)	8	1	d	.	.	.
Cd10a	Cd	0.11416(4)	-0.15268(6)	-0.25	Uani	0.0152(3)	8	1	d	.	.	.
Cd10b	Cd	0.48241(6)	0.75	0.25	Uani	0.0156(5)	4	1	d	.	.	.
Cd11	Cd	0.24931(7)	0.25	-0.25	Uani	0.0334(9)	4	1	d	.	.	.
Cd12a	Cd	0.5	0	0	Uani	0.0390(9)	8	0.585(6)	d	.	.	.
Cd12b	Cd	0.25	0.75	0	Uani	0.0414(10)	4	1	d	.	.	.
Cd13	Cd	0.24985(10)	0.25	-0.09140(19)	Uani	0.0268(9)	8	0.4013(14)	d	.	.	.
Cd14	Cd	0.86762(11)	0.75	0.0811(2)	Uani	0.0676(16)	8	0.4013(14)	d	.	.	.

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

Atom site label	Atom site symbol	U11	U22	U33	U12	U13	U23
Ce1a	Ce	0.0113(4)	0.0116(4)	0.0182(5)	-0.0023(3)	0	0
Ce1b	Ce	0.0066(7)	0.0135(5)	0.0171(8)	0	0	0
Ce2a	Ce	0.0106(3)	0.0130(3)	0.0120(3)	-0.0017(2)	-0.0001(3)	-0.0001(2)
Ce2b	Ce	0.0096(4)	0.0127(4)	0.0125(5)	0	0.0003(4)	0
Ce3a	Ce	0.0115(5)	0.0118(4)	0.0385(16)	-0.0010(4)	-0.0026(6)	-0.0033(5)
Ce3b	Ce	0.0090(8)	0.0136(6)	0.0311(13)	0	-0.0064(8)	0
Ce4	Ce	0.0117(12)	0.0107(8)	0.0202(12)	0	-0.0008(11)	0
Cd1a	Cd	0.0242(8)	0.0170(7)	0.0202(7)	-0.0070(6)	-0.0061(7)	0.0044(6)
Cd1b	Cd	0.0140(7)	0.0833(14)	0.0197(9)	0.0089(7)	-0.0038(6)	-0.0148(7)
Cd1b2	Cd	0.0092(7)	0.0271(12)	0.0213(10)	0.0002(6)	-0.0005(7)	-0.0075(7)
Cd1c	Cd	0.0326(16)	0.0197(10)	0.0307(14)	-0.0128(10)	0.0181(13)	-0.0096(9)
Cd1c2	Cd	0.0271(10)	0.0183(7)	0.0184(8)	-0.0087(7)	0.0060(8)	-0.0022(6)
Cd2	Cd	0.0111(8)	0.0109(6)	0.0322(11)	0	0	0
Cd3	Cd	0.0137(6)	0.0145(5)	0.0157(6)	0	-0.0003(5)	0
Cd4a	Cd	0.0286(7)	0.0230(5)	0.0245(6)	-0.0023(5)	0.0026(6)	0.0052(4)
Cd4b	Cd	0.0169(9)	0.0275(6)	0.0215(8)	0	-0.0053(7)	0
Cd5a	Cd	0.0133(7)	0.0213(6)	0.0385(10)	0.0013(6)	0.0057(7)	0.0120(6)
Cd5a2	Cd	0.0455(15)	0.0478(15)	0.058(2)	0.0123(12)	0.0179(15)	0.0316(15)
Cd5b	Cd	0.0253(10)	0.0215(7)	0.0409(14)	0.0019(7)	-0.0181(9)	0.0020(7)
Cd6a	Cd	0.0117(6)	0.0206(5)	0.0162(7)	-0.0009(5)	0	0
Cd6b	Cd	0.0181(6)	0.0195(5)	0.0203(7)	0.0004(5)	0	0
Cd6c	Cd	0.0169(6)	0.0180(5)	0.0192(7)	0.0017(5)	0	0
Cd7a	Cd	0.0139(4)	0.0152(4)	0.0226(5)	-0.0020(3)	0.0000(4)	-0.0030(3)
Cd7b	Cd	0.0109(6)	0.0175(5)	0.0179(6)	0	0.0002(5)	0
Cd8a	Cd	0.0181(5)	0.0286(4)	0.0174(5)	0.0092(4)	0.0022(4)	0.0045(4)
Cd8b	Cd	0.0233(9)	0.0129(5)	0.0184(7)	0	-0.0043(7)	0
Cd9a	Cd	0.0133(4)	0.0169(4)	0.0131(5)	0.0006(3)	0.0005(4)	0.0002(3)
Cd9b	Cd	0.0146(7)	0.0141(5)	0.0135(6)	0	-0.0010(5)	0
Cd10a	Cd	0.0148(6)	0.0153(5)	0.0154(6)	-0.0023(5)	0	0
Cd10b	Cd	0.0118(8)	0.0193(7)	0.0158(9)	0	0	0
Cd11	Cd	0.0124(9)	0.0143(8)	0.074(2)	0	0	0
Cd12a	Cd	0.0459(17)	0.0313(14)	0.0396(18)	-0.0115(11)	0.0083(13)	0.0115(11)
Cd12b	Cd	0.0213(15)	0.0743(16)	0.029(2)	0	-0.0019(14)	0
Cd13	Cd	0.0297(16)	0.0310(14)	0.0197(17)	0	-0.0009(14)	0
Cd14	Cd	0.0180(16)	0.149(4)	0.036(2)	0	0.0075(16)	0

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

Wave vector code	q_x	q_y	q_z
1	0.66670	0.00000	0.00000
2	1.33340	0.00000	0.00000

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

Modulation code	Atom site label	Wave vector code
Ce3ao1	Ce3a	1
Ce3bo1	Ce3b	1
Ce4o1	Ce4	1
Ce4o2	Ce4	2
Cd1ao1	Cd1a	1
Cd1bo1	Cd1b	1
Cd1b2o1	Cd1b2	1
Cd1co1	Cd1c	1
Cd1c2o1	Cd1c2	1
Cd5ao1	Cd5a	1
Cd5a2o1	Cd5a2	1
Cd5bo1	Cd5b	1
Cd5bo2	Cd5b	2
Cd12ao1	Cd12a	1
Cd13o1	Cd13	1
Cd13o2	Cd13	2
Cd14o1	Cd14	1

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

Modulation code	Cosine coefficient	Sine coefficient
Ce3ao1	0.152(5)	-0.557(7)
Ce3bo1	-0.320(5)	-0.509(5)
Ce4o1	-0.434(4)	0
Ce4o2	-0.021(11)	0
Cd1ao1	0.031(4)	0.098(4)
Cd1bo1	-0.017(5)	0.790(14)
Cd1b2o1	0.016(5)	-0.790(14)
Cd1co1	-0.565(10)	-0.220(10)
Cd1c2o1	0.549(10)	0.258(10)
Cd5ao1	0.335(3)	0.456(3)
Cd5a2o1	-0.315(3)	-0.470(3)
Cd5bo1	0.015(4)	-0.609(6)
Cd5bo2	0.043(12)	0.035(14)
Cd12ao1	0.557(6)	0
Cd13o1	0.434(4)	0
Cd13o2	-0.021(11)	0
Cd14o1	-0.425(7)	0.336(7)

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

Modulation code	Atom site label	Displacement axis	Wave vector code
Ce1ax1	Ce1a	x	1
Ce1ay1	Ce1a	y	1
Ce1az1	Ce1a	z	1
Ce1bx1	Ce1b	x	1
Ce1by1	Ce1b	y	1
Ce1bz1	Ce1b	z	1
Ce1bx2	Ce1b	x	2
Ce1by2	Ce1b	y	2
Ce1bz2	Ce1b	z	2
Ce2ax1	Ce2a	x	1
Ce2ay1	Ce2a	y	1
Ce2az1	Ce2a	z	1
Ce2bx1	Ce2b	x	1
Ce2by1	Ce2b	y	1
Ce2bz1	Ce2b	z	1
Ce3bx1	Ce3b	x	1
Ce3by1	Ce3b	y	1
Ce3bz1	Ce3b	z	1
Ce4x1	Ce4	x	1
Ce4y1	Ce4	y	1
Ce4z1	Ce4	z	1
Cd1ax1	Cd1a	x	1
Cd1ay1	Cd1a	y	1
Cd1az1	Cd1a	z	1
Cd1ax2	Cd1a	x	2
Cd1ay2	Cd1a	y	2
Cd1az2	Cd1a	z	2
Cd1cx1	Cd1c	x	1
Cd1cy1	Cd1c	y	1
Cd1cz1	Cd1c	z	1
Cd1c2x1	Cd1c2	x	1
Cd1c2y1	Cd1c2	y	1
Cd1c2z1	Cd1c2	z	1
Cd2x1	Cd2	x	1
Cd2y1	Cd2	y	1
Cd2z1	Cd2	z	1
Cd3x1	Cd3	x	1
Cd3y1	Cd3	y	1
Cd3z1	Cd3	z	1
Cd4ax1	Cd4a	x	1
Cd4ay1	Cd4a	y	1
Cd4az1	Cd4a	z	1
Cd4bx1	Cd4b	x	1
Cd4by1	Cd4b	y	1
Cd4bz1	Cd4b	z	1
Cd4bx2	Cd4b	x	2
Cd4by2	Cd4b	y	2
Cd4bz2	Cd4b	z	2
Cd5ax1	Cd5a	x	1
Cd5ay1	Cd5a	y	1
Cd5az1	Cd5a	z	1
Cd5a2x1	Cd5a2	x	1
Cd5a2y1	Cd5a2	y	1
Cd5a2z1	Cd5a2	z	1
Cd5bx1	Cd5b	x	1
Cd5by1	Cd5b	y	1
Cd5bz1	Cd5b	z	1
Cd6ax1	Cd6a	x	1
Cd6ay1	Cd6a	y	1
Cd6az1	Cd6a	z	1
Cd6bx1	Cd6b	x	1
Cd6by1	Cd6b	y	1
Cd6bz1	Cd6b	z	1
Cd6cx1	Cd6c	x	1
Cd6cy1	Cd6c	y	1
Cd6cz1	Cd6c	z	1
Cd7ax1	Cd7a	x	1
Cd7ay1	Cd7a	y	1
Cd7az1	Cd7a	z	1
Cd7bx1	Cd7b	x	1
Cd7by1	Cd7b	y	1
Cd7bz1	Cd7b	z	1
Cd8ax1	Cd8a	x	1
Cd8ay1	Cd8a	y	1
Cd8az1	Cd8a	z	1
Cd8bx1	Cd8b	x	1
Cd8by1	Cd8b	y	1
Cd8bz1	Cd8b	z	1
Cd8bx2	Cd8b	x	2
Cd8by2	Cd8b	y	2
Cd8bz2	Cd8b	z	2
Cd9ax1	Cd9a	x	1
Cd9ay1	Cd9a	y	1
Cd9az1	Cd9a	z	1
Cd9bx1	Cd9b	x	1
Cd9by1	Cd9b	y	1
Cd9bz1	Cd9b	z	1
Cd9bx2	Cd9b	x	2
Cd9by2	Cd9b	y	2
Cd9bz2	Cd9b	z	2
Cd10ax1	Cd10a	x	1
Cd10ay1	Cd10a	y	1
Cd10az1	Cd10a	z	1
Cd10bx1	Cd10b	x	1
Cd10by1	Cd10b	y	1
Cd10bz1	Cd10b	z	1
Cd11x1	Cd11	x	1
Cd11y1	Cd11	y	1
Cd11z1	Cd11	z	1
Cd12ax1	Cd12a	x	1
Cd12ay1	Cd12a	y	1
Cd12az1	Cd12a	z	1
Cd12bx1	Cd12b	x	1
Cd12by1	Cd12b	y	1
Cd12bz1	Cd12b	z	1

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

Modulation code	Cosine coefficient	Sine coefficient
Ce1ax1	0	0
Ce1ay1	0	0
Ce1az1	0.00679(12)	-0.00255(12)
Ce1bx1	0	0
Ce1by1	0	0
Ce1bz1	-0.00147(18)	0.01020(17)
Ce1bx2	0.0013(2)	-0.0015(2)
Ce1by2	0	0
Ce1bz2	0	0
Ce2ax1	-0.00060(4)	-0.00072(4)
Ce2ay1	0.00356(6)	0.00199(7)
Ce2az1	0.00043(8)	-0.00038(8)
Ce2bx1	0.00005(6)	-0.00015(6)
Ce2by1	0	0
Ce2bz1	0.00298(12)	-0.00125(12)
Ce3bx1	-0.0015(2)	0.0008(3)
Ce3by1	0	0
Ce3bz1	0.0043(6)	0.0051(9)
Ce4x1	0	0.00732(14)
Ce4y1	0	0
Ce4z1	0	-0.0002(3)
Cd1ax1	0.00311(6)	-0.00371(7)
Cd1ay1	-0.00630(9)	0.00301(10)
Cd1az1	-0.00497(13)	0.00070(13)
Cd1ax2	-0.00413(15)	-0.00410(15)
Cd1ay2	0.0070(3)	0.0057(3)
Cd1az2	0.0021(4)	0.0036(4)
Cd1cx1	0.0043(6)	0.0019(3)
Cd1cy1	0.0030(9)	0.0014(5)
Cd1cz1	0.0030(15)	-0.0013(7)
Cd1c2x1	-0.0024(3)	-0.0049(2)
Cd1c2y1	0.0016(5)	0.0048(3)
Cd1c2z1	-0.0009(6)	-0.0048(3)
Cd2x1	0	0
Cd2y1	0	0
Cd2z1	0.0020(2)	0.0016(2)
Cd3x1	0.00127(7)	0.00085(7)
Cd3y1	0	0
Cd3z1	-0.00072(15)	-0.00060(16)
Cd4ax1	0.00216(7)	0.01059(6)
Cd4ay1	-0.00396(10)	-0.00721(9)
Cd4az1	-0.00420(12)	0.00538(12)
Cd4bx1	0.00192(8)	0.00143(8)
Cd4by1	0	0
Cd4bz1	-0.00067(17)	-0.01025(16)
Cd4bx2	0.0039(2)	0.0010(2)
Cd4by2	0	0
Cd4bz2	-0.0008(5)	0.0007(5)
Cd5ax1	0.00227(14)	-0.00592(17)
Cd5ay1	-0.0019(3)	0.0023(3)
Cd5az1	0.0001(3)	-0.0078(4)
Cd5a2x1	0.0046(4)	0.0026(6)
Cd5a2y1	-0.0038(8)	-0.0015(11)
Cd5a2z1	0.0075(11)	0.0060(15)
Cd5bx1	-0.00142(12)	0.0023(5)
Cd5by1	0.00481(17)	0.0016(7)
Cd5bz1	0.0014(2)	-0.0004(11)
Cd6ax1	0	0
Cd6ay1	0	0
Cd6az1	-0.00133(15)	-0.00273(15)
Cd6bx1	0	0
Cd6by1	0	0
Cd6bz1	-0.00547(16)	-0.00193(16)
Cd6cx1	0	0
Cd6cy1	0	0
Cd6cz1	0.00367(15)	0.00076(15)
Cd7ax1	0.00008(6)	0.00003(5)
Cd7ay1	0.00426(9)	-0.00006(8)
Cd7az1	-0.00399(11)	-0.00032(12)
Cd7bx1	-0.00093(7)	-0.00125(8)
Cd7by1	0	0
Cd7bz1	0.00039(15)	-0.00175(15)
Cd8ax1	-0.00386(6)	0.00103(6)
Cd8ay1	-0.00511(9)	0.00384(10)
Cd8az1	0.00071(11)	-0.00005(12)
Cd8bx1	-0.00448(9)	0.00836(9)
Cd8by1	0	0
Cd8bz1	0.00344(16)	-0.00511(16)
Cd8bx2	-0.00005(16)	-0.00270(17)
Cd8by2	0	0
Cd8bz2	0.0001(5)	0.0014(4)
Cd9ax1	-0.00074(5)	-0.00026(5)
Cd9ay1	0.00383(9)	-0.00491(8)
Cd9az1	0.00000(11)	-0.00100(11)
Cd9bx1	-0.00423(8)	-0.00240(8)
Cd9by1	0	0
Cd9bz1	-0.00007(14)	0.00095(15)
Cd9bx2	0.00068(19)	0.00054(19)
Cd9by2	0	0
Cd9bz2	-0.0001(6)	-0.0011(6)
Cd10ax1	0	0
Cd10ay1	0	0
Cd10az1	-0.00080(15)	-0.00137(15)
Cd10bx1	0	0
Cd10by1	0	0
Cd10bz1	0.0009(2)	0.0004(2)
Cd11x1	0	0
Cd11y1	0	0
Cd11z1	-0.0268(3)	-0.0024(3)
Cd12ax1	0	-0.00698(16)
Cd12ay1	0	0.0111(2)
Cd12az1	0	0.0044(3)
Cd12bx1	0	0.01209(13)
Cd12by1	0	0
Cd12bz1	0	-0.0245(3)

All the Disorder Mechanisms in the 13:58 Phases Come Together. Out of the Modulated Confusion Rises the Remarkable Phase Ce12.60Cd58.68(2)