Ta_1.40(1)Mn_4.60(1)Si₅: distribution of the Ta and Mn atoms

The title compound is closely related to the previously described Ta₂Mn₄Si₅ structure which was studied by powder methods [Steinmetz & Roques (1977). J. Less Common Metals, 52, 247-258]. The present single-crystal study shows a different ordering pattern of Ta and Mn over the metal sites and a small solid solubility range.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](i-Si) = 0.001 Å
• Disorder in main residue
• R factor = 0.019
• wR factor = 0.048
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT301_ALERT_3_C Main Residue  Disorder .........................      12.00 Perc.

Alert level G
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G ALERT: check formula stoichiometry or atom site occupancies.
           From the CIF: _cell_formula_units_Z    4
           From the CIF: _chemical_formula_sum  Mn4.60 Si5 Ta1.40
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           Mn        18.40     18.43   -0.03
           Si        20.00     20.00    0.00
           Ta         5.60      5.57    0.03

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL (Sheldrick, 2001); molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXL97.

(I)

Crystal data

Mn4.60Si5Ta1.40	F(000) = 1149
Mr = 646.50	Dx = 7.668 Mg m^−3
Orthorhombic, Ibam	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -I 2 2c	Cell parameters from 2157 reflections
a = 15.5206 (19) Å	θ = 2.6–28.7°
b = 7.3856 (9) Å	µ = 38.23 mm^−1
c = 4.8852 (6) Å	T = 100 K
V = 559.99 (12) Å^3	Needle, black
Z = 4	0.09 × 0.03 × 0.03 mm

Data collection

Bruker SMART APEX diffractometer	405 independent reflections
Radiation source: fine-focus sealed tube	386 reflections with I > \2s(I)
Graphite monochromator	Rint = 0.035
Detector resolution: 8.3 pixels mm^-1	θmax = 28.7°, θmin = 2.6°
ω scans	h = −20→15
Absorption correction: multi-scan SADABS (Sheldrick, 2003)	k = −9→9
Tmin = 0.130, Tmax = 0.319	l = −5→6
2157 measured reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.019	Secondary atom site location: difference Fourier map
wR(F^2) = 0.048	w = 1/[σ^2(Fo^2) + (0.0257P)^2 + 0.8189P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max < 0.001
405 reflections	Δρmax = 1.32 e Å^−3
34 parameters	Δρmin = −1.15 e Å^−3

Special details

Experimental. Data collection is performed with four batch runs at φ = 0.00 ° (450 frames), at φ = 90.00 ° (450 frames), at φ = 180.00 ° (300 frames), and at φ = 270.00 (150 frames). Frame width = 0.40 \& in ω. Data is merged, corrected for decay, and treated with multi-scan absorption corrections.

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Mn1	0.43929 (6)	0.24589 (12)	0.0000	0.0038 (3)
Mn2	0.30649 (6)	0.0000	0.2500	0.0043 (2)
Ta	0.142046 (19)	0.11717 (4)	0.0000	0.00401 (14)	0.696 (4)
Mn	0.142046 (19)	0.11717 (4)	0.0000	0.00401 (14)	0.304 (4)
Si1	0.0000	0.0000	0.2500	0.0043 (5)
Si2	0.28835 (10)	0.2928 (2)	0.0000	0.0048 (4)
Si3	0.06686 (11)	0.4197 (2)	0.0000	0.0057 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mn1	0.0033 (4)	0.0029 (5)	0.0052 (4)	0.0000 (3)	0.000	0.000
Mn2	0.0042 (4)	0.0045 (4)	0.0043 (4)	0.000	0.000	0.0002 (4)
Ta	0.0034 (2)	0.0036 (2)	0.0050 (2)	−0.00033 (11)	0.000	0.000
Mn	0.0034 (2)	0.0036 (2)	0.0050 (2)	−0.00033 (11)	0.000	0.000
Si1	0.0037 (10)	0.0038 (11)	0.0054 (10)	0.000	0.000	0.000
Si2	0.0042 (8)	0.0038 (8)	0.0062 (8)	0.0009 (6)	0.000	0.000
Si3	0.0040 (8)	0.0060 (8)	0.0070 (8)	−0.0011 (7)	0.000	0.000

Geometric parameters (Å, º)

Mn1—Si3^i	2.327 (2)	Ta—Mn2^vi	2.9589 (9)
Mn1—Si2	2.3681 (19)	Ta—Ta^x	2.9936 (5)
Mn1—Si3^ii	2.411 (2)	Si1—Mn1^iii	2.4293 (8)
Mn1—Si1^iii	2.4293 (8)	Si1—Mn1^ii	2.4293 (8)
Mn1—Si1^iv	2.4293 (8)	Si1—Mn1^xi	2.4293 (8)
Mn1—Si3^v	2.7332 (9)	Si1—Mn1^xii	2.4293 (8)
Mn1—Si3^iii	2.7332 (9)	Si1—Si1^xiii	2.4426 (3)
Mn1—Ta^v	2.9296 (6)	Si1—Si1^ix	2.4426 (3)
Mn1—Mn^v	2.9296 (6)	Si1—Mn^ix	2.6647 (4)
Mn1—Ta^iii	2.9296 (6)	Si1—Ta^ix	2.6647 (4)
Mn1—Mn^iii	2.9296 (6)	Si1—Mn^viii	2.6647 (4)
Mn1—Mn2^vi	3.0063 (10)	Si1—Ta^viii	2.6647 (4)
Mn2—Si3^iii	2.3889 (17)	Si1—Ta^xiv	2.6647 (4)
Mn2—Si3^ii	2.3889 (17)	Si1—Mn^xiv	2.6647 (4)
Mn2—Mn2^vii	2.4426 (3)	Si2—Mn2^iii	2.4498 (15)
Mn2—Mn2^vi	2.4426 (3)	Si2—Mn2^xv	2.4498 (15)
Mn2—Si2^ii	2.4498 (15)	Si2—Mn2^vi	2.4991 (15)
Mn2—Si2^iii	2.4498 (15)	Si2—Mn^xvi	2.6283 (18)
Mn2—Si2^viii	2.4991 (15)	Si2—Ta^xvi	2.6283 (18)
Mn2—Si2	2.4991 (15)	Si2—Mn^iii	2.7524 (8)
Mn2—Ta	2.9589 (9)	Si2—Ta^iii	2.7524 (8)
Mn2—Ta^viii	2.9589 (9)	Si2—Ta^v	2.7524 (8)
Mn2—Mn^viii	2.9589 (9)	Si3—Mn1^xii	2.327 (2)
Ta—Si3	2.5205 (19)	Si3—Mn2^iii	2.3890 (17)
Ta—Si2	2.6149 (17)	Si3—Mn2^xv	2.3890 (17)
Ta—Si2^ii	2.6283 (18)	Si3—Si3^xvii	2.391 (4)
Ta—Si1^ix	2.6648 (4)	Si3—Mn1^xvi	2.411 (2)
Ta—Si1	2.6648 (4)	Si3—Si3^xviii	2.7156 (16)
Ta—Si2^iii	2.7524 (8)	Si3—Si3^xix	2.7156 (16)
Ta—Si2^v	2.7524 (8)	Si3—Mn1^v	2.7332 (9)
Ta—Mn1^v	2.9296 (6)	Si3—Mn1^iii	2.7332 (9)
Ta—Mn1^iii	2.9296 (6)
Si3^i—Mn1—Si2	156.71 (7)	Mn2—Ta—Mn2^vi	48.756 (16)
Si3^i—Mn1—Si3^ii	60.57 (8)	Si3—Ta—Ta^x	120.827 (15)
Si2—Mn1—Si3^ii	96.13 (7)	Si2—Ta—Ta^x	106.66 (2)
Si3^i—Mn1—Si1^iii	94.35 (5)	Si2^ii—Ta—Ta^x	58.193 (14)
Si2—Mn1—Si1^iii	105.71 (5)	Si1^ix—Ta—Ta^x	55.825 (6)
Si3^ii—Mn1—Si1^iii	141.93 (4)	Si1—Ta—Ta^x	100.730 (11)
Si3^i—Mn1—Si1^iv	94.35 (5)	Si2^iii—Ta—Ta^x	149.75 (4)
Si2—Mn1—Si1^iv	105.71 (5)	Si2^v—Ta—Ta^x	54.24 (3)
Si3^ii—Mn1—Si1^iv	141.93 (4)	Mn1^v—Ta—Ta^x	61.268 (17)
Si1^iii—Mn1—Si1^iv	60.36 (2)	Mn1^iii—Ta—Ta^x	151.63 (2)
Si3^i—Mn1—Si3^v	78.15 (6)	Mn2—Ta—Ta^x	99.654 (10)
Si2—Mn1—Si3^v	91.77 (5)	Mn2^vi—Ta—Ta^x	59.611 (10)
Si3^ii—Mn1—Si3^v	63.36 (4)	Mn1^iii—Si1—Mn1^ii	134.36 (4)
Si1^iii—Mn1—Si3^v	143.94 (4)	Mn1^iii—Si1—Mn1^xi	119.64 (2)
Si1^iv—Mn1—Si3^v	84.83 (4)	Mn1^ii—Si1—Mn1^xi	78.83 (3)
Si3^i—Mn1—Si3^iii	78.15 (6)	Mn1^iii—Si1—Mn1^xii	78.83 (3)
Si2—Mn1—Si3^iii	91.77 (5)	Mn1^ii—Si1—Mn1^xii	119.64 (2)
Si3^ii—Mn1—Si3^iii	63.36 (4)	Mn1^xi—Si1—Mn1^xii	134.36 (4)
Si1^iii—Mn1—Si3^iii	84.83 (4)	Mn1^iii—Si1—Si1^xiii	59.818 (11)
Si1^iv—Mn1—Si3^iii	143.94 (4)	Mn1^ii—Si1—Si1^xiii	120.182 (11)
Si3^v—Mn1—Si3^iii	126.68 (8)	Mn1^xi—Si1—Si1^xiii	59.818 (11)
Si3^i—Mn1—Ta^v	123.230 (17)	Mn1^xii—Si1—Si1^xiii	120.182 (11)
Si2—Mn1—Ta^v	61.53 (2)	Mn1^iii—Si1—Si1^ix	120.182 (11)
Si3^ii—Mn1—Ta^v	109.14 (3)	Mn1^ii—Si1—Si1^ix	59.818 (11)
Si1^iii—Mn1—Ta^v	108.64 (3)	Mn1^xi—Si1—Si1^ix	120.182 (11)
Si1^iv—Mn1—Ta^v	58.753 (14)	Mn1^xii—Si1—Si1^ix	59.818 (11)
Si3^v—Mn1—Ta^v	52.72 (4)	Si1^xiii—Si1—Si1^ix	180.0
Si3^iii—Mn1—Ta^v	152.19 (5)	Mn1^iii—Si1—Mn^ix	143.34 (2)
Si3^i—Mn1—Mn^v	123.230 (17)	Mn1^ii—Si1—Mn^ix	80.77 (2)
Si2—Mn1—Mn^v	61.53 (2)	Mn1^xi—Si1—Mn^ix	70.041 (18)
Si3^ii—Mn1—Mn^v	109.14 (3)	Mn1^xii—Si1—Mn^ix	72.52 (2)
Si1^iii—Mn1—Mn^v	108.64 (3)	Si1^xiii—Si1—Mn^ix	117.279 (5)
Si1^iv—Mn1—Mn^v	58.753 (14)	Si1^ix—Si1—Mn^ix	62.721 (5)
Si3^v—Mn1—Mn^v	52.72 (4)	Mn1^iii—Si1—Ta^ix	143.34 (2)
Si3^iii—Mn1—Mn^v	152.19 (5)	Mn1^ii—Si1—Ta^ix	80.77 (2)
Si3^i—Mn1—Ta^iii	123.230 (17)	Mn1^xi—Si1—Ta^ix	70.041 (18)
Si2—Mn1—Ta^iii	61.53 (2)	Mn1^xii—Si1—Ta^ix	72.52 (2)
Si3^ii—Mn1—Ta^iii	109.14 (3)	Si1^xiii—Si1—Ta^ix	117.279 (5)
Si1^iii—Mn1—Ta^iii	58.753 (14)	Si1^ix—Si1—Ta^ix	62.721 (5)
Si1^iv—Mn1—Ta^iii	108.64 (3)	Mn1^iii—Si1—Mn^viii	72.52 (2)
Si3^v—Mn1—Ta^iii	152.19 (5)	Mn1^ii—Si1—Mn^viii	70.041 (18)
Si3^iii—Mn1—Ta^iii	52.72 (4)	Mn1^xi—Si1—Mn^viii	80.77 (2)
Ta^v—Mn1—Ta^iii	112.97 (3)	Mn1^xii—Si1—Mn^viii	143.34 (2)
Mn^v—Mn1—Ta^iii	112.97 (3)	Si1^xiii—Si1—Mn^viii	62.721 (5)
Si3^i—Mn1—Mn^iii	123.230 (17)	Si1^ix—Si1—Mn^viii	117.279 (5)
Si2—Mn1—Mn^iii	61.53 (2)	Mn^ix—Si1—Mn^viii	142.098 (14)
Si3^ii—Mn1—Mn^iii	109.14 (3)	Ta^ix—Si1—Mn^viii	142.098 (14)
Si1^iii—Mn1—Mn^iii	58.753 (14)	Mn1^iii—Si1—Ta^viii	72.52 (2)
Si1^iv—Mn1—Mn^iii	108.64 (3)	Mn1^ii—Si1—Ta^viii	70.041 (18)
Si3^v—Mn1—Mn^iii	152.19 (5)	Mn1^xi—Si1—Ta^viii	80.77 (2)
Si3^iii—Mn1—Mn^iii	52.72 (4)	Mn1^xii—Si1—Ta^viii	143.34 (2)
Ta^v—Mn1—Mn^iii	112.97 (3)	Si1^xiii—Si1—Ta^viii	62.721 (5)
Mn^v—Mn1—Mn^iii	112.97 (3)	Si1^ix—Si1—Ta^viii	117.279 (5)
Si3^i—Mn1—Mn2^vi	105.42 (5)	Mn^ix—Si1—Ta^viii	142.098 (14)
Si2—Mn1—Mn2^vi	53.85 (4)	Ta^ix—Si1—Ta^viii	142.098 (14)
Si3^ii—Mn1—Mn2^vi	50.89 (4)	Mn1^iii—Si1—Ta^xiv	80.77 (2)
Si1^iii—Mn1—Mn2^vi	159.53 (4)	Mn1^ii—Si1—Ta^xiv	143.34 (2)
Si1^iv—Mn1—Mn2^vi	121.895 (14)	Mn1^xi—Si1—Ta^xiv	72.52 (2)
Si3^v—Mn1—Mn2^vi	48.91 (4)	Mn1^xii—Si1—Ta^xiv	70.041 (18)
Si3^iii—Mn1—Mn2^vi	93.95 (4)	Si1^xiii—Si1—Ta^xiv	62.721 (5)
Ta^v—Mn1—Mn2^vi	64.812 (16)	Si1^ix—Si1—Ta^xiv	117.279 (5)
Mn^v—Mn1—Mn2^vi	64.812 (16)	Mn^ix—Si1—Ta^xiv	68.349 (13)
Ta^iii—Mn1—Mn2^vi	104.59 (3)	Ta^ix—Si1—Ta^xiv	68.349 (13)
Mn^iii—Mn1—Mn2^vi	104.59 (3)	Mn^viii—Si1—Ta^xiv	125.442 (10)
Si3^iii—Mn2—Si3^ii	69.27 (6)	Ta^viii—Si1—Ta^xiv	125.442 (10)
Si3^iii—Mn2—Mn2^vii	59.25 (2)	Mn1^iii—Si1—Mn^xiv	80.77 (2)
Si3^ii—Mn2—Mn2^vii	120.75 (2)	Mn1^ii—Si1—Mn^xiv	143.34 (2)
Si3^iii—Mn2—Mn2^vi	120.75 (2)	Mn1^xi—Si1—Mn^xiv	72.52 (2)
Si3^ii—Mn2—Mn2^vi	59.25 (2)	Mn1^xii—Si1—Mn^xiv	70.041 (18)
Mn2^vii—Mn2—Mn2^vi	180.0	Si1^xiii—Si1—Mn^xiv	62.721 (5)
Si3^iii—Mn2—Si2^ii	154.75 (6)	Si1^ix—Si1—Mn^xiv	117.279 (5)
Si3^ii—Mn2—Si2^ii	94.84 (5)	Mn^ix—Si1—Mn^xiv	68.349 (13)
Mn2^vii—Mn2—Si2^ii	119.90 (2)	Ta^ix—Si1—Mn^xiv	68.349 (13)
Mn2^vi—Mn2—Si2^ii	60.10 (2)	Mn^viii—Si1—Mn^xiv	125.442 (10)
Si3^iii—Mn2—Si2^iii	94.84 (5)	Ta^viii—Si1—Mn^xiv	125.442 (10)
Si3^ii—Mn2—Si2^iii	154.75 (6)	Mn1—Si2—Mn2^iii	133.30 (6)
Mn2^vii—Mn2—Si2^iii	60.10 (2)	Mn1—Si2—Mn2^xv	133.30 (6)
Mn2^vi—Mn2—Si2^iii	119.90 (2)	Mn2^iii—Si2—Mn2^xv	59.81 (4)
Si2^ii—Mn2—Si2^iii	106.13 (8)	Mn1—Si2—Mn2	76.24 (5)
Si3^iii—Mn2—Si2^viii	93.31 (5)	Mn2^iii—Si2—Mn2	111.38 (3)
Si3^ii—Mn2—Si2^viii	97.33 (5)	Mn2^xv—Si2—Mn2	148.42 (7)
Mn2^vii—Mn2—Si2^viii	60.75 (2)	Mn1—Si2—Mn2^vi	76.24 (5)
Mn2^vi—Mn2—Si2^viii	119.25 (2)	Mn2^iii—Si2—Mn2^vi	148.42 (7)
Si2^ii—Mn2—Si2^viii	68.61 (3)	Mn2^xv—Si2—Mn2^vi	111.39 (3)
Si2^iii—Mn2—Si2^viii	103.25 (3)	Mn2—Si2—Mn2^vi	58.51 (4)
Si3^iii—Mn2—Si2	97.33 (5)	Mn1—Si2—Ta	141.87 (8)
Si3^ii—Mn2—Si2	93.31 (5)	Mn2^iii—Si2—Ta	77.76 (5)
Mn2^vii—Mn2—Si2	119.25 (2)	Mn2^xv—Si2—Ta	77.76 (5)
Mn2^vi—Mn2—Si2	60.75 (2)	Mn2—Si2—Ta	70.66 (5)
Si2^ii—Mn2—Si2	103.25 (3)	Mn2^vi—Si2—Ta	70.66 (5)
Si2^iii—Mn2—Si2	68.61 (3)	Mn1—Si2—Mn^xvi	74.13 (5)
Si2^viii—Mn2—Si2	167.06 (8)	Mn2^iii—Si2—Mn^xvi	71.18 (5)
Si3^iii—Mn2—Ta	148.01 (4)	Mn2^xv—Si2—Mn^xvi	71.18 (5)
Si3^ii—Mn2—Ta	124.84 (2)	Mn2—Si2—Mn^xvi	137.94 (5)
Mn2^vii—Mn2—Ta	114.379 (8)	Mn2^vi—Si2—Mn^xvi	137.94 (5)
Mn2^vi—Mn2—Ta	65.622 (8)	Ta—Si2—Mn^xvi	144.00 (7)
Si2^ii—Mn2—Ta	57.22 (4)	Mn1—Si2—Ta^xvi	74.13 (5)
Si2^iii—Mn2—Ta	60.31 (3)	Mn2^iii—Si2—Ta^xvi	71.18 (5)
Si2^viii—Mn2—Ta	110.95 (5)	Mn2^xv—Si2—Ta^xvi	71.18 (5)
Si2—Mn2—Ta	56.50 (4)	Mn2—Si2—Ta^xvi	137.94 (5)
Si3^iii—Mn2—Ta^viii	124.85 (2)	Mn2^vi—Si2—Ta^xvi	137.94 (5)
Si3^ii—Mn2—Ta^viii	148.01 (4)	Ta—Si2—Ta^xvi	144.00 (7)
Mn2^vii—Mn2—Ta^viii	65.622 (8)	Mn1—Si2—Mn^iii	69.33 (3)
Mn2^vi—Mn2—Ta^viii	114.379 (8)	Mn2^iii—Si2—Mn^iii	69.05 (3)
Si2^ii—Mn2—Ta^viii	60.31 (3)	Mn2^xv—Si2—Mn^iii	121.82 (6)
Si2^iii—Mn2—Ta^viii	57.22 (4)	Mn2—Si2—Mn^iii	74.41 (2)
Si2^viii—Mn2—Ta^viii	56.50 (4)	Mn2^vi—Si2—Mn^iii	126.77 (6)
Si2—Mn2—Ta^viii	110.95 (5)	Ta—Si2—Mn^iii	117.43 (3)
Ta—Mn2—Ta^viii	60.78 (2)	Mn^xvi—Si2—Mn^iii	67.56 (3)
Si3^iii—Mn2—Mn^viii	124.85 (2)	Ta^xvi—Si2—Mn^iii	67.56 (3)
Si3^ii—Mn2—Mn^viii	148.01 (4)	Mn1—Si2—Ta^iii	69.33 (3)
Mn2^vii—Mn2—Mn^viii	65.622 (8)	Mn2^iii—Si2—Ta^iii	69.05 (3)
Mn2^vi—Mn2—Mn^viii	114.379 (8)	Mn2^xv—Si2—Ta^iii	121.82 (6)
Si2^ii—Mn2—Mn^viii	60.31 (3)	Mn2—Si2—Ta^iii	74.41 (2)
Si2^iii—Mn2—Mn^viii	57.22 (4)	Mn2^vi—Si2—Ta^iii	126.77 (6)
Si2^viii—Mn2—Mn^viii	56.50 (4)	Ta—Si2—Ta^iii	117.43 (3)
Si2—Mn2—Mn^viii	110.95 (5)	Mn^xvi—Si2—Ta^iii	67.56 (3)
Si3—Ta—Si2	87.85 (6)	Ta^xvi—Si2—Ta^iii	67.56 (3)
Si3—Ta—Si2^ii	176.69 (5)	Mn1—Si2—Ta^v	69.33 (3)
Si2—Ta—Si2^ii	95.46 (3)	Mn2^iii—Si2—Ta^v	121.82 (6)
Si3—Ta—Si1^ix	84.54 (4)	Mn2^xv—Si2—Ta^v	69.05 (3)
Si2—Ta—Si1^ix	151.581 (12)	Mn2—Si2—Ta^v	126.77 (6)
Si2^ii—Ta—Si1^ix	92.52 (3)	Mn2^vi—Si2—Ta^v	74.41 (2)
Si3—Ta—Si1	84.54 (4)	Ta—Si2—Ta^v	117.43 (3)
Si2—Ta—Si1	151.581 (12)	Ta^xvi—Si2—Ta^v	67.56 (3)
Si2^ii—Ta—Si1	92.52 (3)	Mn^iii—Si2—Ta^v	125.10 (6)
Si1^ix—Ta—Si1	54.557 (10)	Mn1^xii—Si3—Mn2^iii	146.15 (4)
Si3—Ta—Si2^iii	88.14 (4)	Mn1^xii—Si3—Mn2^xv	146.15 (4)
Si2—Ta—Si2^iii	62.57 (3)	Mn2^iii—Si3—Mn2^xv	61.49 (5)
Si2^ii—Ta—Si2^iii	93.38 (5)	Mn1^xii—Si3—Si3^xvii	61.46 (8)
Si1^ix—Ta—Si2^iii	144.09 (3)	Mn2^iii—Si3—Si3^xvii	126.23 (9)
Si1—Ta—Si2^iii	89.80 (3)	Mn2^xv—Si3—Si3^xvii	126.23 (9)
Si3—Ta—Si2^v	88.14 (4)	Mn1^xii—Si3—Mn1^xvi	119.43 (8)
Si2—Ta—Si2^v	62.57 (3)	Mn2^iii—Si3—Mn1^xvi	77.55 (5)
Si2^ii—Ta—Si2^v	93.38 (5)	Mn2^xv—Si3—Mn1^xvi	77.55 (5)
Si1^ix—Ta—Si2^v	89.80 (3)	Si3^xvii—Si3—Mn1^xvi	57.97 (8)
Si1—Ta—Si2^v	144.09 (3)	Mn1^xii—Si3—Ta	85.88 (6)
Si2^iii—Ta—Si2^v	125.11 (6)	Mn2^iii—Si3—Ta	80.75 (5)
Si3—Ta—Mn1^v	59.64 (2)	Mn2^xv—Si3—Ta	80.75 (5)
Si2—Ta—Mn1^v	101.71 (3)	Si3^xvii—Si3—Ta	147.34 (12)
Si2^ii—Ta—Mn1^v	119.459 (19)	Mn1^xvi—Si3—Ta	154.69 (8)
Si1^ix—Ta—Mn1^v	51.206 (18)	Mn1^xii—Si3—Si3^xviii	103.28 (2)
Si1—Ta—Mn1^v	97.92 (2)	Mn2^iii—Si3—Si3^xviii	55.36 (3)
Si2^iii—Ta—Mn1^v	145.65 (4)	Mn2^xv—Si3—Si3^xviii	110.57 (6)
Si2^v—Ta—Mn1^v	49.14 (4)	Si3^xvii—Si3—Si3^xviii	77.47 (6)
Si3—Ta—Mn1^iii	59.64 (2)	Mn1^xvi—Si3—Si3^xviii	64.11 (7)
Si2—Ta—Mn1^iii	101.71 (3)	Ta—Si3—Si3^xviii	112.79 (6)
Si2^ii—Ta—Mn1^iii	119.459 (19)	Mn1^xii—Si3—Si3^xix	103.28 (2)
Si1^ix—Ta—Mn1^iii	97.92 (2)	Mn2^iii—Si3—Si3^xix	110.57 (6)
Si1—Ta—Mn1^iii	51.206 (18)	Mn2^xv—Si3—Si3^xix	55.36 (3)
Si2^iii—Ta—Mn1^iii	49.14 (4)	Si3^xvii—Si3—Si3^xix	77.47 (6)
Si2^v—Ta—Mn1^iii	145.65 (4)	Mn1^xvi—Si3—Si3^xix	64.11 (7)
Mn1^v—Ta—Mn1^iii	112.97 (3)	Ta—Si3—Si3^xix	112.79 (6)
Si3—Ta—Mn2	131.19 (4)	Si3^xviii—Si3—Si3^xix	128.18 (14)
Si2—Ta—Mn2	52.84 (3)	Mn1^xii—Si3—Mn1^v	74.65 (5)
Si2^ii—Ta—Mn2	51.60 (3)	Mn2^iii—Si3—Mn1^v	126.64 (7)
Si1^ix—Ta—Mn2	143.886 (14)	Mn2^xv—Si3—Mn1^v	71.52 (3)
Si1—Ta—Mn2	115.436 (14)	Si3^xvii—Si3—Mn1^v	101.05 (5)
Si2^iii—Ta—Mn2	50.64 (3)	Mn1^xvi—Si3—Mn1^v	116.46 (4)
Si2^v—Ta—Mn2	95.65 (3)	Ta—Si3—Mn1^v	67.64 (4)
Mn1^v—Ta—Mn2	144.767 (19)	Si3^xviii—Si3—Mn1^v	177.89 (5)
Mn1^iii—Ta—Mn2	97.385 (18)	Si3^xix—Si3—Mn1^v	52.53 (4)
Si3—Ta—Mn2^vi	131.19 (4)	Mn1^xii—Si3—Mn1^iii	74.65 (5)
Si2—Ta—Mn2^vi	52.84 (3)	Mn2^iii—Si3—Mn1^iii	71.52 (3)
Si2^ii—Ta—Mn2^vi	51.60 (3)	Mn2^xv—Si3—Mn1^iii	126.64 (7)
Si1^ix—Ta—Mn2^vi	115.436 (13)	Si3^xvii—Si3—Mn1^iii	101.05 (5)
Si1—Ta—Mn2^vi	143.886 (14)	Mn1^xvi—Si3—Mn1^iii	116.46 (4)
Si2^iii—Ta—Mn2^vi	95.65 (3)	Ta—Si3—Mn1^iii	67.64 (4)
Si2^v—Ta—Mn2^vi	50.64 (3)	Si3^xviii—Si3—Mn1^iii	52.53 (4)
Mn1^v—Ta—Mn2^vi	97.385 (18)	Si3^xix—Si3—Mn1^iii	177.89 (5)
Mn1^iii—Ta—Mn2^vi	144.767 (19)	Mn1^v—Si3—Mn1^iii	126.68 (8)

Symmetry codes: (i) x+1/2, −y+1/2, z; (ii) −x+1/2, y−1/2, −z; (iii) −x+1/2, −y+1/2, −z+1/2; (iv) x+1/2, y+1/2, z−1/2; (v) −x+1/2, −y+1/2, −z−1/2; (vi) x, y, −z; (vii) x, y, −z+1; (viii) x, −y, z+1/2; (ix) −x, −y, −z; (x) x, −y, z−1/2; (xi) x−1/2, y−1/2, z+1/2; (xii) x−1/2, −y+1/2, z; (xiii) −x, −y, −z+1; (xiv) −x, y, −z+1/2; (xv) −x+1/2, −y+1/2, z−1/2; (xvi) −x+1/2, y+1/2, −z; (xvii) −x, −y+1, −z; (xviii) x, −y+1, z+1/2; (xix) x, −y+1, z−1/2.