Literature DB >> 21589204

Dibarium tricadmium bis-muthide(-I,-III) oxide, Ba(2)Cd(3-δ)Bi(3)O.

Abstract

Ba(2)Cd(2.13)Bi(3)O, a new bis-muthide(-I,-III) oxide, crystallizes with a novel body-centered tetra-gonal structure (Pearson code tI36). The crystal structure contains eight crystallographically unique sites in the asymmetric unit, all on special positions. Two Ba, one Cd and two Bi atoms have site symmetry 4mm, the third Bi atom has mmm. and the O atom has m2 symmetry; the second Cd site (2mm. symmetry) is not fully occupied. The layered structure is complex and can be considered as an inter-growth of two types of slabs, viz. BaCdBiO with the ZrCuSiAs type and BaCd(2)Bi(2) with the CeMg(2)Si(2) type.

Entities: Chemical Disease Species

Year: 2010 PMID： 21589204 PMCID： PMC3011431 DOI： 10.1107/S1600536810046283

Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN： 1600-5368

Related literature

Isotypic compounds are not known; however, there are several compounds whose structures are based on fused CdBi4 tetrahedral fragments, including BaCdBi2 (Brechtel et al., 1981 ▶), Ba11Cd8Bi14 (Xia & Bobev, 2006a ▶), Eu10Cd8Bi12 (Xia & Bobev, 2007 ▶), Sr21Cd4Bi18 (Xia & Bobev, 2008 ▶). Condensed trigonal CdBi5 bi-pyramids and distorted CdBi6 octahedra are known for Ba2Cd3Bi4 (Cordier et al., 1982 ▶; Xia & Bobev, 2006b ▶). The serendipitous discovery of the title compound was the result of a systematic study of the Ba—Cd—Bi system, inspired from the identification of Ba3Cd2Sb4 (Saparov et al., 2008 ▶). The compound BaCdSbF (Saparov & Bobev, 2010 ▶) is an example of a structure that epitomizes the BaCdBiO slabs. Recently, the idea that intermetallic oxide-pnictides and fluoride-pnictides could be a widespread class of quaternary solids has been discussed on the examples of Ba5Cd2Sb5O (0.5Ba5Cd2Sb5F (Saparov & Bobev, 2010 ▶). Theoretical considerations of non-classical electron-rich networks of the pnictogen elements is proved by Papoian & Hoffmann (2000 ▶). For standardization of the atomic coordinates, the program STRUCTURE-TIDY was used (Gelato & Parthé, 1987) ▶. For further information on structure types among intermetallic phases, we refer to Pearson’s Handbook (Villars & Calvert, 1991 ▶).

Experimental

Crystal data

Ba2Cd2.13Bi3O M = 1148.47 Tetragonal, a = 4.7396 (4) Å c = 43.601 (7) Å V = 979.5 (2) Å3 Z = 4 Mo Kα radiation μ = 66.05 mm−1 T = 120 K 0.05 × 0.05 × 0.02 mm

Data collection

Bruker SMART APEX diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2002 ▶) T min = 0.137, T max = 0.352 5274 measured reflections 433 independent reflections 386 reflections with I > 2σ(I) R int = 0.066

Refinement

R[F 2 > 2σ(F 2)] = 0.032 wR(F 2) = 0.073 S = 1.22 433 reflections 25 parameters Δρmax = 4.75 e Å−3 Δρmin = −1.93 e Å−3 Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT (Bruker, 2002 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008) ▶; program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and CrystalMaker (CrystalMaker, 2009 ▶); software used to prepare material for publication: SHELXTL. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810046283/wm2421sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536810046283/wm2421Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Ba₂Cd_2.13Bi₃O	D_x = 7.788 Mg m⁻³
M_r = 1148.47	Mo Kα radiation, λ = 0.71073 Å
Tetragonal, I4/mmm	Cell parameters from 938 reflections
Hall symbol: -I 4 2	θ = 4.7–26.7°
a = 4.7396 (4) Å	µ = 66.05 mm⁻¹
c = 43.601 (7) Å	T = 120 K
V = 979.5 (2) Å³	Plate, black
Z = 4	0.05 × 0.05 × 0.02 mm
F(000) = 1890

Bruker SMART APEX diffractometer	433 independent reflections
Radiation source: fine-focus sealed tube	386 reflections with I > 2σ(I)
graphite	R_int = 0.066
ω scans	θ_max = 28.2°, θ_min = 0.9°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −6→6
T_min = 0.137, T_max = 0.352	k = −6→6
5274 measured reflections	l = −56→56

Refinement on F²	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F² > 2σ(F²)] = 0.032	Secondary atom site location: difference Fourier map
wR(F²) = 0.073	w = 1/[σ²(F_o²) + (0.0055P)² + 124.164P] where P = (F_o² + 2F_c²)/3
S = 1.22	(Δ/σ)_max < 0.001
433 reflections	Δρ_max = 4.75 e Å⁻³
25 parameters	Δρ_min = −1.93 e Å⁻³

Experimental. Selected in the glove box, crystals were put in a Paratone N oil and cut to the desired dimensions. The chosen crystal was mounted on a tip of a glass fiber and quickly transferred onto the goniometer. The crystal was kept under a cold nitrogen stream to protect from the ambient air and moisture.Data collection is performed with four batch runs at φ = 0.00 ° (607 frames), at φ = 90.00 ° (607 frames), at φ = 180.00 ° (607 frames), and at φ = 270.00 (607 frames). Frame width = 0.30 ° in ω. Data are merged and treated with multi-scan absorption corrections.

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ba1	0.0000	0.0000	0.22161 (7)	0.0529 (9)
Ba2	0.0000	0.0000	0.43606 (5)	0.0129 (4)
Cd1	0.0000	0.5000	0.13679 (4)	0.0181 (4)
Cd2	0.0000	0.0000	0.0330 (6)	0.020 (4)	0.13
Bi1	0.0000	0.0000	0.09251 (3)	0.0165 (3)
Bi2	0.0000	0.0000	0.32220 (3)	0.0145 (3)
Bi3	0.0000	0.5000	0.0000	0.0237 (4)
O	0.0000	0.5000	0.2500	0.037 (7)

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ba1	0.0665 (15)	0.0665 (15)	0.0257 (14)	0.000	0.000	0.000
Ba2	0.0120 (6)	0.0120 (6)	0.0148 (10)	0.000	0.000	0.000
Cd1	0.0133 (9)	0.0217 (10)	0.0193 (9)	0.000	0.000	0.000
Cd2	0.014 (6)	0.014 (6)	0.032 (12)	0.000	0.000	0.000
Bi1	0.0109 (4)	0.0109 (4)	0.0278 (7)	0.000	0.000	0.000
Bi2	0.0137 (4)	0.0137 (4)	0.0161 (6)	0.000	0.000	0.000
Bi3	0.0123 (7)	0.0415 (9)	0.0173 (7)	0.000	0.000	0.000
O	0.029 (10)	0.029 (10)	0.052 (19)	0.000	0.000	0.000

Ba1—Oⁱ	2.6736 (14)	Cd2—Cd2^xv	2.87 (5)
Ba1—O	2.6736 (14)	Cd2—Ba2ⁱ	3.613 (9)
Ba1—Oⁱⁱ	2.6736 (14)	Cd2—Ba2^iv	3.613 (9)
Ba1—Oⁱⁱⁱ	2.6736 (14)	Cd2—Ba2^v	3.613 (9)
Ba1—Bi2^iv	3.8575 (16)	Cd2—Ba2ⁱⁱ	3.613 (9)
Ba1—Bi2ⁱ	3.8575 (16)	Bi1—Cd1^xiii	3.0565 (14)
Ba1—Bi2ⁱⁱ	3.8575 (16)	Bi1—Cd1^xi	3.0565 (14)
Ba1—Bi2^v	3.8575 (16)	Bi1—Cd1ⁱⁱⁱ	3.0565 (14)
Ba2—Bi1^iv	3.5756 (9)	Bi1—Ba2^iv	3.5756 (9)
Ba2—Bi1ⁱ	3.5756 (9)	Bi1—Ba2ⁱ	3.5756 (9)
Ba2—Bi1ⁱⁱ	3.5756 (9)	Bi1—Ba2ⁱⁱ	3.5756 (9)
Ba2—Bi1^v	3.5756 (9)	Bi1—Ba2^v	3.5756 (9)
Ba2—Cd2ⁱ	3.613 (9)	Bi2—Cd1^xvi	2.9688 (14)
Ba2—Cd2^iv	3.613 (9)	Bi2—Cd1ⁱ	2.9688 (14)
Ba2—Cd2ⁱⁱ	3.613 (9)	Bi2—Cd1^xvii	2.9688 (14)
Ba2—Cd2^v	3.613 (9)	Bi2—Cd1ⁱⁱ	2.9688 (14)
Ba2—Bi3^vi	3.6588 (16)	Bi2—Ba1^iv	3.8575 (16)
Ba2—Bi3^vii	3.6588 (16)	Bi2—Ba1ⁱ	3.8575 (16)
Ba2—Bi3^viii	3.6588 (16)	Bi2—Ba1^v	3.8575 (16)
Ba2—Bi3^ix	3.6588 (16)	Bi2—Ba1ⁱⁱ	3.8575 (16)
Cd1—Bi2ⁱ	2.9689 (14)	Bi3—Cd2^xv	2.771 (13)
Cd1—Bi2ⁱⁱ	2.9689 (14)	Bi3—Cd2^x	2.771 (13)
Cd1—Bi1	3.0565 (14)	Bi3—Cd2^xviii	2.771 (13)
Cd1—Bi1^x	3.0565 (14)	Bi3—Bi3^xii	3.3514 (3)
Cd1—Cd1^xi	3.3514 (3)	Bi3—Bi3^xi	3.3514 (3)
Cd1—Cd1^xii	3.3514 (3)	Bi3—Bi3^xiv	3.3514 (3)
Cd1—Cd1^xiii	3.3514 (3)	Bi3—Bi3^xiii	3.3514 (3)
Cd1—Cd1^xiv	3.3514 (3)	Bi3—Ba2ⁱ	3.6588 (16)
Cd1—Ba2ⁱⁱ	3.963 (2)	Bi3—Ba2^xix	3.6588 (16)
Cd1—Ba2ⁱ	3.963 (2)	Bi3—Ba2^xx	3.6588 (16)
Cd2—Bi1	2.60 (2)	Bi3—Ba2ⁱⁱ	3.6588 (16)
Cd2—Bi3^xi	2.771 (13)	O—Ba1ⁱ	2.6736 (14)
Cd2—Bi3ⁱⁱⁱ	2.771 (13)	O—Ba1^x	2.6736 (14)
Cd2—Bi3^xiii	2.771 (13)	O—Ba1ⁱⁱ	2.6736 (14)
Cd2—Bi3	2.771 (13)

Oⁱ—Ba1—O	77.62 (5)	Bi3^xi—Cd2—Bi3ⁱⁱⁱ	74.4 (4)
Oⁱ—Ba1—Oⁱⁱ	124.84 (12)	Bi1—Cd2—Bi3^xiii	121.2 (4)
O—Ba1—Oⁱⁱ	77.62 (5)	Bi3^xi—Cd2—Bi3^xiii	117.5 (9)
Oⁱ—Ba1—Oⁱⁱⁱ	77.62 (5)	Bi3ⁱⁱⁱ—Cd2—Bi3^xiii	74.4 (4)
O—Ba1—Oⁱⁱⁱ	124.84 (12)	Bi1—Cd2—Bi3	121.2 (4)
Oⁱⁱ—Ba1—Oⁱⁱⁱ	77.62 (5)	Bi3^xi—Cd2—Bi3	74.4 (4)
Oⁱ—Ba1—Bi2^iv	140.694 (10)	Bi3ⁱⁱⁱ—Cd2—Bi3	117.5 (9)
O—Ba1—Bi2^iv	140.694 (10)	Bi3^xiii—Cd2—Bi3	74.4 (4)
Oⁱⁱ—Ba1—Bi2^iv	71.62 (2)	Bi1—Cd2—Cd2^xv	180.0
Oⁱⁱⁱ—Ba1—Bi2^iv	71.62 (2)	Bi3^xi—Cd2—Cd2^xv	58.8 (4)
Oⁱ—Ba1—Bi2ⁱ	71.62 (2)	Bi3ⁱⁱⁱ—Cd2—Cd2^xv	58.8 (4)
O—Ba1—Bi2ⁱ	71.62 (2)	Bi3^xiii—Cd2—Cd2^xv	58.8 (4)
Oⁱⁱ—Ba1—Bi2ⁱ	140.694 (10)	Bi3—Cd2—Cd2^xv	58.8 (4)
Oⁱⁱⁱ—Ba1—Bi2ⁱ	140.694 (10)	Bi1—Cd2—Ba2ⁱ	68.0 (4)
Bi2^iv—Ba1—Bi2ⁱ	120.64 (8)	Bi3^xi—Cd2—Ba2ⁱ	138.99 (16)
Oⁱ—Ba1—Bi2ⁱⁱ	140.694 (9)	Bi3ⁱⁱⁱ—Cd2—Ba2ⁱ	138.99 (16)
O—Ba1—Bi2ⁱⁱ	71.62 (2)	Bi3^xiii—Cd2—Ba2ⁱ	68.47 (4)
Oⁱⁱ—Ba1—Bi2ⁱⁱ	71.62 (2)	Bi3—Cd2—Ba2ⁱ	68.47 (4)
Oⁱⁱⁱ—Ba1—Bi2ⁱⁱ	140.694 (9)	Cd2^xv—Cd2—Ba2ⁱ	112.0 (4)
Bi2^iv—Ba1—Bi2ⁱⁱ	75.81 (4)	Bi1—Cd2—Ba2^iv	68.0 (4)
Bi2ⁱ—Ba1—Bi2ⁱⁱ	75.81 (4)	Bi3^xi—Cd2—Ba2^iv	68.47 (4)
Oⁱ—Ba1—Bi2^v	71.62 (2)	Bi3ⁱⁱⁱ—Cd2—Ba2^iv	68.47 (4)
O—Ba1—Bi2^v	140.694 (9)	Bi3^xiii—Cd2—Ba2^iv	138.99 (16)
Oⁱⁱ—Ba1—Bi2^v	140.694 (9)	Bi3—Cd2—Ba2^iv	138.99 (16)
Oⁱⁱⁱ—Ba1—Bi2^v	71.62 (2)	Cd2^xv—Cd2—Ba2^iv	112.0 (4)
Bi2^iv—Ba1—Bi2^v	75.81 (4)	Ba2ⁱ—Cd2—Ba2^iv	136.1 (7)
Bi2ⁱ—Ba1—Bi2^v	75.81 (4)	Bi1—Cd2—Ba2^v	68.0 (4)
Bi2ⁱⁱ—Ba1—Bi2^v	120.64 (8)	Bi3^xi—Cd2—Ba2^v	138.99 (16)
Oⁱ—Ba1—Ba1ⁱ	38.81 (2)	Bi3ⁱⁱⁱ—Cd2—Ba2^v	68.47 (4)
O—Ba1—Ba1ⁱ	38.81 (2)	Bi3^xiii—Cd2—Ba2^v	68.47 (4)
Oⁱⁱ—Ba1—Ba1ⁱ	103.24 (10)	Bi3—Cd2—Ba2^v	138.99 (16)
Oⁱⁱⁱ—Ba1—Ba1ⁱ	103.24 (10)	Cd2^xv—Cd2—Ba2^v	112.0 (4)
Bi2^iv—Ba1—Ba1ⁱ	173.23 (11)	Ba2ⁱ—Cd2—Ba2^v	82.0 (3)
Bi2ⁱ—Ba1—Ba1ⁱ	66.13 (4)	Ba2^iv—Cd2—Ba2^v	82.0 (3)
Bi2ⁱⁱ—Ba1—Ba1ⁱ	107.110 (13)	Bi1—Cd2—Ba2ⁱⁱ	68.0 (4)
Bi2^v—Ba1—Ba1ⁱ	107.110 (13)	Bi3^xi—Cd2—Ba2ⁱⁱ	68.47 (4)
Oⁱ—Ba1—Ba1^v	38.81 (2)	Bi3ⁱⁱⁱ—Cd2—Ba2ⁱⁱ	138.99 (16)
O—Ba1—Ba1^v	103.24 (10)	Bi3^xiii—Cd2—Ba2ⁱⁱ	138.99 (16)
Oⁱⁱ—Ba1—Ba1^v	103.24 (10)	Bi3—Cd2—Ba2ⁱⁱ	68.47 (4)
Oⁱⁱⁱ—Ba1—Ba1^v	38.81 (2)	Cd2^xv—Cd2—Ba2ⁱⁱ	112.0 (4)
Bi2^iv—Ba1—Ba1^v	107.110 (12)	Ba2ⁱ—Cd2—Ba2ⁱⁱ	82.0 (3)
Bi2ⁱ—Ba1—Ba1^v	107.110 (13)	Ba2^iv—Cd2—Ba2ⁱⁱ	82.0 (3)
Bi2ⁱⁱ—Ba1—Ba1^v	173.23 (11)	Ba2^v—Cd2—Ba2ⁱⁱ	136.1 (7)
Bi2^v—Ba1—Ba1^v	66.13 (3)	Cd2—Bi1—Cd1	129.16 (3)
Ba1ⁱ—Ba1—Ba1^v	69.33 (7)	Cd2—Bi1—Cd1^xiii	129.17 (3)
Oⁱ—Ba1—Ba1ⁱⁱ	103.24 (10)	Cd1—Bi1—Cd1^xiii	66.49 (4)
O—Ba1—Ba1ⁱⁱ	38.81 (2)	Cd2—Bi1—Cd1^xi	129.17 (3)
Oⁱⁱ—Ba1—Ba1ⁱⁱ	38.81 (2)	Cd1—Bi1—Cd1^xi	66.49 (4)
Oⁱⁱⁱ—Ba1—Ba1ⁱⁱ	103.24 (10)	Cd1^xiii—Bi1—Cd1^xi	101.67 (7)
Bi2^iv—Ba1—Ba1ⁱⁱ	107.110 (12)	Cd2—Bi1—Cd1ⁱⁱⁱ	129.17 (3)
Bi2ⁱ—Ba1—Ba1ⁱⁱ	107.110 (13)	Cd1—Bi1—Cd1ⁱⁱⁱ	101.67 (7)
Bi2ⁱⁱ—Ba1—Ba1ⁱⁱ	66.13 (3)	Cd1^xiii—Bi1—Cd1ⁱⁱⁱ	66.49 (4)
Bi2^v—Ba1—Ba1ⁱⁱ	173.23 (11)	Cd1^xi—Bi1—Cd1ⁱⁱⁱ	66.49 (4)
Ba1ⁱ—Ba1—Ba1ⁱⁱ	69.33 (7)	Cd2—Bi1—Ba2^iv	69.60 (4)
Ba1^v—Ba1—Ba1ⁱⁱ	107.10 (14)	Cd1—Bi1—Ba2^iv	137.22 (3)
Oⁱ—Ba1—Ba1^iv	103.24 (10)	Cd1^xiii—Bi1—Ba2^iv	137.22 (3)
O—Ba1—Ba1^iv	103.24 (10)	Cd1^xi—Bi1—Ba2^iv	72.92 (3)
Oⁱⁱ—Ba1—Ba1^iv	38.81 (2)	Cd1ⁱⁱⁱ—Bi1—Ba2^iv	72.92 (3)
Oⁱⁱⁱ—Ba1—Ba1^iv	38.81 (2)	Cd2—Bi1—Ba2ⁱ	69.60 (4)
Bi2^iv—Ba1—Ba1^iv	66.13 (3)	Cd1—Bi1—Ba2ⁱ	72.92 (3)
Bi2ⁱ—Ba1—Ba1^iv	173.23 (11)	Cd1^xiii—Bi1—Ba2ⁱ	72.92 (3)
Bi2ⁱⁱ—Ba1—Ba1^iv	107.110 (12)	Cd1^xi—Bi1—Ba2ⁱ	137.22 (3)
Bi2^v—Ba1—Ba1^iv	107.110 (12)	Cd1ⁱⁱⁱ—Bi1—Ba2ⁱ	137.22 (3)
Ba1ⁱ—Ba1—Ba1^iv	107.10 (14)	Ba2^iv—Bi1—Ba2ⁱ	139.21 (8)
Ba1^v—Ba1—Ba1^iv	69.33 (7)	Cd2—Bi1—Ba2ⁱⁱ	69.60 (4)
Ba1ⁱⁱ—Ba1—Ba1^iv	69.33 (7)	Cd1—Bi1—Ba2ⁱⁱ	72.92 (3)
Bi1^iv—Ba2—Bi1ⁱ	139.21 (8)	Cd1^xiii—Bi1—Ba2ⁱⁱ	137.22 (3)
Bi1^iv—Ba2—Bi1ⁱⁱ	83.02 (3)	Cd1^xi—Bi1—Ba2ⁱⁱ	72.92 (3)
Bi1ⁱ—Ba2—Bi1ⁱⁱ	83.02 (3)	Cd1ⁱⁱⁱ—Bi1—Ba2ⁱⁱ	137.22 (3)
Bi1^iv—Ba2—Bi1^v	83.02 (3)	Ba2^iv—Bi1—Ba2ⁱⁱ	83.02 (3)
Bi1ⁱ—Ba2—Bi1^v	83.02 (3)	Ba2ⁱ—Bi1—Ba2ⁱⁱ	83.02 (3)
Bi1ⁱⁱ—Ba2—Bi1^v	139.21 (8)	Cd2—Bi1—Ba2^v	69.60 (4)
Bi1^iv—Ba2—Cd2ⁱ	178.4 (4)	Cd1—Bi1—Ba2^v	137.22 (3)
Bi1ⁱ—Ba2—Cd2ⁱ	42.3 (4)	Cd1^xiii—Bi1—Ba2^v	72.92 (3)
Bi1ⁱⁱ—Ba2—Cd2ⁱ	97.49 (12)	Cd1^xi—Bi1—Ba2^v	137.22 (3)
Bi1^v—Ba2—Cd2ⁱ	97.49 (12)	Cd1ⁱⁱⁱ—Bi1—Ba2^v	72.92 (3)
Bi1^iv—Ba2—Cd2^iv	42.3 (4)	Ba2^iv—Bi1—Ba2^v	83.02 (3)
Bi1ⁱ—Ba2—Cd2^iv	178.4 (4)	Ba2ⁱ—Bi1—Ba2^v	83.02 (3)
Bi1ⁱⁱ—Ba2—Cd2^iv	97.49 (12)	Ba2ⁱⁱ—Bi1—Ba2^v	139.21 (8)
Bi1^v—Ba2—Cd2^iv	97.49 (12)	Cd1^xvi—Bi2—Cd1ⁱ	68.73 (4)
Cd2ⁱ—Ba2—Cd2^iv	136.1 (7)	Cd1^xvi—Bi2—Cd1^xvii	105.92 (7)
Bi1^iv—Ba2—Cd2ⁱⁱ	97.49 (12)	Cd1ⁱ—Bi2—Cd1^xvii	68.73 (4)
Bi1ⁱ—Ba2—Cd2ⁱⁱ	97.49 (12)	Cd1^xvi—Bi2—Cd1ⁱⁱ	68.73 (4)
Bi1ⁱⁱ—Ba2—Cd2ⁱⁱ	42.3 (4)	Cd1ⁱ—Bi2—Cd1ⁱⁱ	105.92 (7)
Bi1^v—Ba2—Cd2ⁱⁱ	178.4 (4)	Cd1^xvii—Bi2—Cd1ⁱⁱ	68.73 (4)
Cd2ⁱ—Ba2—Cd2ⁱⁱ	82.0 (3)	Cd1^xvi—Bi2—Ba1^iv	142.059 (16)
Cd2^iv—Ba2—Cd2ⁱⁱ	82.0 (3)	Cd1ⁱ—Bi2—Ba1^iv	142.059 (16)
Bi1^iv—Ba2—Cd2^v	97.49 (12)	Cd1^xvii—Bi2—Ba1^iv	78.92 (4)
Bi1ⁱ—Ba2—Cd2^v	97.49 (12)	Cd1ⁱⁱ—Bi2—Ba1^iv	78.92 (4)
Bi1ⁱⁱ—Ba2—Cd2^v	178.4 (4)	Cd1^xvi—Bi2—Ba1ⁱ	78.92 (4)
Bi1^v—Ba2—Cd2^v	42.3 (4)	Cd1ⁱ—Bi2—Ba1ⁱ	78.92 (4)
Cd2ⁱ—Ba2—Cd2^v	82.0 (3)	Cd1^xvii—Bi2—Ba1ⁱ	142.059 (17)
Cd2^iv—Ba2—Cd2^v	82.0 (3)	Cd1ⁱⁱ—Bi2—Ba1ⁱ	142.059 (17)
Cd2ⁱⁱ—Ba2—Cd2^v	136.1 (7)	Ba1^iv—Bi2—Ba1ⁱ	120.64 (8)
Bi1^iv—Ba2—Bi3^vi	134.01 (4)	Cd1^xvi—Bi2—Ba1^v	142.059 (17)
Bi1ⁱ—Ba2—Bi3^vi	80.58 (2)	Cd1ⁱ—Bi2—Ba1^v	78.92 (4)
Bi1ⁱⁱ—Ba2—Bi3^vi	80.58 (2)	Cd1^xvii—Bi2—Ba1^v	78.92 (4)
Bi1^v—Ba2—Bi3^vi	134.01 (4)	Cd1ⁱⁱ—Bi2—Ba1^v	142.059 (17)
Cd2ⁱ—Ba2—Bi3^vi	44.8 (3)	Ba1^iv—Bi2—Ba1^v	75.81 (4)
Cd2^iv—Ba2—Bi3^vi	98.0 (3)	Ba1ⁱ—Bi2—Ba1^v	75.81 (4)
Cd2ⁱⁱ—Ba2—Bi3^vi	44.8 (3)	Cd1^xvi—Bi2—Ba1ⁱⁱ	78.92 (4)
Cd2^v—Ba2—Bi3^vi	98.0 (3)	Cd1ⁱ—Bi2—Ba1ⁱⁱ	142.059 (17)
Bi1^iv—Ba2—Bi3^vii	134.01 (4)	Cd1^xvii—Bi2—Ba1ⁱⁱ	142.059 (16)
Bi1ⁱ—Ba2—Bi3^vii	80.58 (2)	Cd1ⁱⁱ—Bi2—Ba1ⁱⁱ	78.92 (4)
Bi1ⁱⁱ—Ba2—Bi3^vii	134.01 (4)	Ba1^iv—Bi2—Ba1ⁱⁱ	75.81 (4)
Bi1^v—Ba2—Bi3^vii	80.58 (2)	Ba1ⁱ—Bi2—Ba1ⁱⁱ	75.81 (4)
Cd2ⁱ—Ba2—Bi3^vii	44.8 (3)	Ba1^v—Bi2—Ba1ⁱⁱ	120.64 (8)
Cd2^iv—Ba2—Bi3^vii	98.0 (3)	Cd2—Bi3—Cd2^xv	62.5 (9)
Cd2ⁱⁱ—Ba2—Bi3^vii	98.0 (3)	Cd2—Bi3—Cd2^x	117.5 (9)
Cd2^v—Ba2—Bi3^vii	44.8 (3)	Cd2^xv—Bi3—Cd2^x	180.0 (9)
Bi3^vi—Ba2—Bi3^vii	54.51 (3)	Cd2—Bi3—Cd2^xviii	179.997 (2)
Bi1^iv—Ba2—Bi3^viii	80.58 (2)	Cd2^xv—Bi3—Cd2^xviii	117.5 (9)
Bi1ⁱ—Ba2—Bi3^viii	134.01 (4)	Cd2^x—Bi3—Cd2^xviii	62.5 (9)
Bi1ⁱⁱ—Ba2—Bi3^viii	134.01 (4)	Cd2—Bi3—Bi3^xii	127.2 (2)
Bi1^v—Ba2—Bi3^viii	80.58 (2)	Cd2^xv—Bi3—Bi3^xii	127.2 (2)
Cd2ⁱ—Ba2—Bi3^viii	98.0 (3)	Cd2^x—Bi3—Bi3^xii	52.8 (2)
Cd2^iv—Ba2—Bi3^viii	44.8 (3)	Cd2^xviii—Bi3—Bi3^xii	52.8 (2)
Cd2ⁱⁱ—Ba2—Bi3^viii	98.0 (3)	Cd2—Bi3—Bi3^xi	52.8 (2)
Cd2^v—Ba2—Bi3^viii	44.8 (3)	Cd2^xv—Bi3—Bi3^xi	52.8 (2)
Bi3^vi—Ba2—Bi3^viii	80.74 (4)	Cd2^x—Bi3—Bi3^xi	127.2 (2)
Bi3^vii—Ba2—Bi3^viii	54.51 (3)	Cd2^xviii—Bi3—Bi3^xi	127.2 (2)
Bi1^iv—Ba2—Bi3^ix	80.58 (2)	Bi3^xii—Bi3—Bi3^xi	180.0
Bi1ⁱ—Ba2—Bi3^ix	134.01 (4)	Cd2—Bi3—Bi3^xiv	127.2 (2)
Bi1ⁱⁱ—Ba2—Bi3^ix	80.58 (2)	Cd2^xv—Bi3—Bi3^xiv	127.2 (2)
Bi1^v—Ba2—Bi3^ix	134.01 (4)	Cd2^x—Bi3—Bi3^xiv	52.8 (2)
Cd2ⁱ—Ba2—Bi3^ix	98.0 (3)	Cd2^xviii—Bi3—Bi3^xiv	52.8 (2)
Cd2^iv—Ba2—Bi3^ix	44.8 (3)	Bi3^xii—Bi3—Bi3^xiv	90.0
Cd2ⁱⁱ—Ba2—Bi3^ix	44.8 (3)	Bi3^xi—Bi3—Bi3^xiv	90.0
Cd2^v—Ba2—Bi3^ix	98.0 (3)	Cd2—Bi3—Bi3^xiii	52.8 (2)
Bi3^vi—Ba2—Bi3^ix	54.51 (3)	Cd2^xv—Bi3—Bi3^xiii	52.8 (2)
Bi3^vii—Ba2—Bi3^ix	80.74 (4)	Cd2^x—Bi3—Bi3^xiii	127.2 (2)
Bi3^viii—Ba2—Bi3^ix	54.51 (3)	Cd2^xviii—Bi3—Bi3^xiii	127.2 (2)
Bi2ⁱ—Cd1—Bi2ⁱⁱ	105.92 (7)	Bi3^xii—Bi3—Bi3^xiii	90.0
Bi2ⁱ—Cd1—Bi1	112.360 (17)	Bi3^xi—Bi3—Bi3^xiii	90.0
Bi2ⁱⁱ—Cd1—Bi1	112.360 (17)	Bi3^xiv—Bi3—Bi3^xiii	180.0
Bi2ⁱ—Cd1—Bi1^x	112.360 (17)	Cd2—Bi3—Ba2ⁱ	66.7 (3)
Bi2ⁱⁱ—Cd1—Bi1^x	112.360 (17)	Cd2^xv—Bi3—Ba2ⁱ	113.3 (3)
Bi1—Cd1—Bi1^x	101.67 (7)	Cd2^x—Bi3—Ba2ⁱ	66.7 (3)
Bi2ⁱ—Cd1—Cd1^xi	124.361 (18)	Cd2^xviii—Bi3—Ba2ⁱ	113.3 (3)
Bi2ⁱⁱ—Cd1—Cd1^xi	55.637 (18)	Bi3^xii—Bi3—Ba2ⁱ	62.743 (13)
Bi1—Cd1—Cd1^xi	56.755 (18)	Bi3^xi—Bi3—Ba2ⁱ	117.257 (13)
Bi1^x—Cd1—Cd1^xi	123.248 (18)	Bi3^xiv—Bi3—Ba2ⁱ	117.257 (13)
Bi2ⁱ—Cd1—Cd1^xii	55.636 (18)	Bi3^xiii—Bi3—Ba2ⁱ	62.743 (13)
Bi2ⁱⁱ—Cd1—Cd1^xii	124.361 (18)	Cd2—Bi3—Ba2^xix	113.3 (3)
Bi1—Cd1—Cd1^xii	123.248 (18)	Cd2^xv—Bi3—Ba2^xix	66.7 (3)
Bi1^x—Cd1—Cd1^xii	56.755 (18)	Cd2^x—Bi3—Ba2^xix	113.3 (3)
Cd1^xi—Cd1—Cd1^xii	180.0	Cd2^xviii—Bi3—Ba2^xix	66.7 (3)
Bi2ⁱ—Cd1—Cd1^xiii	55.637 (18)	Bi3^xii—Bi3—Ba2^xix	117.257 (13)
Bi2ⁱⁱ—Cd1—Cd1^xiii	124.361 (18)	Bi3^xi—Bi3—Ba2^xix	62.743 (13)
Bi1—Cd1—Cd1^xiii	56.755 (18)	Bi3^xiv—Bi3—Ba2^xix	62.743 (13)
Bi1^x—Cd1—Cd1^xiii	123.248 (18)	Bi3^xiii—Bi3—Ba2^xix	117.257 (13)
Cd1^xi—Cd1—Cd1^xiii	90.0	Ba2ⁱ—Bi3—Ba2^xix	180.00 (4)
Cd1^xii—Cd1—Cd1^xiii	90.0	Cd2—Bi3—Ba2^xx	113.3 (3)
Bi2ⁱ—Cd1—Cd1^xiv	124.361 (18)	Cd2^xv—Bi3—Ba2^xx	66.7 (3)
Bi2ⁱⁱ—Cd1—Cd1^xiv	55.637 (18)	Cd2^x—Bi3—Ba2^xx	113.3 (3)
Bi1—Cd1—Cd1^xiv	123.248 (18)	Cd2^xviii—Bi3—Ba2^xx	66.7 (3)
Bi1^x—Cd1—Cd1^xiv	56.755 (18)	Bi3^xii—Bi3—Ba2^xx	62.743 (13)
Cd1^xi—Cd1—Cd1^xiv	90.0	Bi3^xi—Bi3—Ba2^xx	117.257 (13)
Cd1^xii—Cd1—Cd1^xiv	90.0	Bi3^xiv—Bi3—Ba2^xx	117.257 (13)
Cd1^xiii—Cd1—Cd1^xiv	180.0	Bi3^xiii—Bi3—Ba2^xx	62.743 (13)
Bi2ⁱ—Cd1—Ba2ⁱⁱ	163.77 (5)	Ba2ⁱ—Bi3—Ba2^xx	99.26 (4)
Bi2ⁱⁱ—Cd1—Ba2ⁱⁱ	90.31 (3)	Ba2^xix—Bi3—Ba2^xx	80.74 (4)
Bi1—Cd1—Ba2ⁱⁱ	59.59 (3)	Cd2—Bi3—Ba2ⁱⁱ	66.7 (3)
Bi1^x—Cd1—Ba2ⁱⁱ	59.59 (3)	Cd2^xv—Bi3—Ba2ⁱⁱ	113.3 (3)
Cd1^xi—Cd1—Ba2ⁱⁱ	64.988 (15)	Cd2^x—Bi3—Ba2ⁱⁱ	66.7 (3)
Cd1^xii—Cd1—Ba2ⁱⁱ	115.015 (15)	Cd2^xviii—Bi3—Ba2ⁱⁱ	113.3 (3)
Cd1^xiii—Cd1—Ba2ⁱⁱ	115.015 (15)	Bi3^xii—Bi3—Ba2ⁱⁱ	117.257 (13)
Cd1^xiv—Cd1—Ba2ⁱⁱ	64.988 (15)	Bi3^xi—Bi3—Ba2ⁱⁱ	62.743 (13)
Bi2ⁱ—Cd1—Ba2ⁱ	90.31 (3)	Bi3^xiv—Bi3—Ba2ⁱⁱ	62.743 (13)
Bi2ⁱⁱ—Cd1—Ba2ⁱ	163.77 (5)	Bi3^xiii—Bi3—Ba2ⁱⁱ	117.257 (13)
Bi1—Cd1—Ba2ⁱ	59.59 (3)	Ba2ⁱ—Bi3—Ba2ⁱⁱ	80.74 (4)
Bi1^x—Cd1—Ba2ⁱ	59.59 (3)	Ba2^xix—Bi3—Ba2ⁱⁱ	99.26 (4)
Cd1^xi—Cd1—Ba2ⁱ	115.015 (15)	Ba2^xx—Bi3—Ba2ⁱⁱ	180.00 (4)
Cd1^xii—Cd1—Ba2ⁱ	64.988 (15)	Ba1—O—Ba1ⁱ	102.38 (5)
Cd1^xiii—Cd1—Ba2ⁱ	64.988 (15)	Ba1—O—Ba1^x	124.84 (12)
Cd1^xiv—Cd1—Ba2ⁱ	115.015 (15)	Ba1ⁱ—O—Ba1^x	102.38 (5)
Ba2ⁱⁱ—Cd1—Ba2ⁱ	73.45 (5)	Ba1—O—Ba1ⁱⁱ	102.38 (5)
Bi1—Cd2—Bi3^xi	121.2 (4)	Ba1ⁱ—O—Ba1ⁱⁱ	124.84 (12)
Bi1—Cd2—Bi3ⁱⁱⁱ	121.2 (4)	Ba1^x—O—Ba1ⁱⁱ	102.38 (5)

7 in total

1. A short history of SHELX.

Authors: George M Sheldrick
Journal: Acta Crystallogr A Date: 2007-12-21 Impact factor: 2.290

2. Ba11Cd8Bi14: bismuth zigzag chains in a ternary alkaline-earth transition-metal Zintl phase.

Authors: Sheng-Qing Xia; Svilen Bobev
Journal: Inorg Chem Date: 2006-09-04 Impact factor: 5.165

3. Hypervalent Bonding in One, Two, and Three Dimensions: Extending the Zintl-Klemm Concept to Nonclassical Electron-Rich Networks.

Authors:
Journal: Angew Chem Int Ed Engl Date: 2000-07-17 Impact factor: 15.336

4. Zintl phase variations through cation selection. Synthesis and structure of A21Cd4Pn18 (A = Eu, Sr, Ba; Pn = Sb, Bi).

Authors: Sheng-Qing Xia; Svilen Bobev
Journal: Inorg Chem Date: 2008-02-21 Impact factor: 5.165

5. Synthesis, structural characterization, electronic structure, and magnetic properties of the Zintl phase Eu10Cd6Bi12.

Authors: Sheng-qing Xia; Svilen Bobev
Journal: Chem Asian J Date: 2007-05-04

6. Synthesis, structure, and bonding of the Zintl phase Ba3Cd2Sb4.

Authors: Bayrammurad Saparov; Sheng-Qing Xia; Svilen Bobev
Journal: Inorg Chem Date: 2008-12-01 Impact factor: 5.165

7. Synthesis, crystallographic and theoretical studies of the new Zintl phases Ba2Cd2Pn3 (Pn = As, Sb), and the solid solutions (Ba(1-x)Sr(x))2Cd2Sb3 and Ba2Cd2(Sb(1-x)As(x))3.

Authors: Bayrammurad Saparov; Hua He; Xiaohang Zhang; Richard Greene; Svilen Bobev
Journal: Dalton Trans Date: 2009-12-01 Impact factor: 4.390

7 in total

1 in total

1. Penta-europium dicadmium penta-anti-monide oxide, Eu(5)Cd(2)Sb(5)O.

Authors: Bayrammurad Saparov; Svilen Bobev
Journal: Acta Crystallogr Sect E Struct Rep Online Date: 2011-01-15

1 in total