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In the last few decades Li-ion batteries changed the way we store energy, becoming a key element of our everyday life. Their continuous improvement is tightly bound to the understanding of lithium (de)intercalation phenomena in electrode materials. Here we address the use of operando diffraction techniques to understand these mechanisms. We focus on powerful probes such as neutrons and synchrotron X-ray radiation, which have become increasingly familiar to the electrochemical community. After discussing the general benefits (and drawbacks) of these characterization techniques and the work of customization required to adapt standard electrochemical cells to an operando diffraction experiment, we highlight several very recent results. We concentrate on important electrode materials such as the spinels Li1 + xMn2 − xO4 (0 ≤ x ≤ 0.10) and LiNi0.4Mn1.6O4. Thorough investigations led by operando neutron powder diffraction demonstrated that neutrons are highly sensitive to structural parameters that cannot be captured by other means (for example, atomic Debye–Waller factors and lithium site occupancy). Synchrotron radiation X-ray powder diffraction reveals how LiMn2O4 is subject to irreversibility upon the first electrochemical cycle, resulting in severe Bragg peak broadening. Even more interestingly, we show for the first time an ordering scheme of the elusive composition Li0.5Mn2O4, through the coexistence of Mn3+:Mn4+ 1:3 cation ordering and lithium/vacancy ordering. More accurately written as Li0.5Mn3+0.5Mn4+1.5O4, this intermediate phase loses the Fd\overline 3m symmetry, to be correctly described in the P213 space group.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520615017199/kc5017sup1.cif
Contains datablocks global, I

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S2052520615017199/kc5017Isup2.rtv
Contains datablock I

txt

Text file https://doi.org/10.1107/S2052520615017199/kc5017sup3.txt
XRD data for Li1/2Mn2O4

Computing details top

Program(s) used to refine structure: FULLPROF.

(I) top
Crystal data top
Li0.5Mn2O4a = 8.152889 (13) Å
Mr = 177.34V = 541.92 (1) Å3
Cubic, P213Z = 8
Hall symbol: P 2ac 2ab 3T = 293 K
Data collection top
Alba MSPD Beam Line
diffractometer
2θmin = 1.132°, 2θmax = 50.110°, 2θstep = 0.006°
Radiation source: Synchrotron
Refinement top
Rp = 4.6988164 data points
Rwp = 8.00716 parameters
Rexp = 1.1710 restraints
RBragg = 8.057
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O10.387 (7)0.387 (7)0.387 (7)0.02956*
O20.142 (9)0.135 (6)0.136 (6)0.02956*
O30.869 (6)0.869 (6)0.869 (6)0.02956*
O40.104 (6)0.119 (5)0.396 (6)0.02956*
Li10.011000.011000.011000.01267*
Mn10.626 (2)0.626 (2)0.626 (2)0.03257*
Mn20.128 (2)0.3798 (13)0.1274 (14)0.03257*
Geometric parameters (Å, º) top
O1—O2i2.90 (8)O4—Li1i3.44 (5)
O1—O2ii2.90 (8)O4—Mn1xxi2.01 (4)
O1—O2iii2.90 (8)O4—Mn2xxii3.31 (5)
O1—O3iv2.89 (8)O4—Mn2xxxv1.90 (5)
O1—O3v2.89 (8)O4—Mn2x1.89 (5)
O1—O3vi2.89 (8)Li1—O1xxxvi3.50 (6)
O1—O43.18 (7)Li1—O1xxii3.50 (6)
O1—O4vii2.50 (8)Li1—O1xvii3.50 (6)
O1—O4viii3.18 (8)Li1—O21.90 (5)
O1—O4ix2.50 (7)Li1—O2viii1.90 (6)
O1—O4x3.18 (7)Li1—O2x1.90 (5)
O1—O4xi2.50 (7)Li1—O3xx2.01 (5)
O1—Li1xii3.50 (6)Li1—O43.35 (5)
O1—Li1xiii3.50 (6)Li1—O4xxii3.42 (4)
O1—Li1i3.50 (6)Li1—O4xvii3.44 (5)
O1—Mn13.37 (6)Li1—O4viii3.35 (4)
O1—Mn2xiv1.91 (6)Li1—O4xxxvii3.42 (5)
O1—Mn2xv1.91 (6)Li1—O4xviii3.44 (5)
O1—Mn2xvi1.91 (6)Li1—O4x3.35 (5)
O2—O1xvii2.90 (8)Li1—O4xxxviii3.42 (5)
O2—O2viii3.16 (8)Li1—O4xxxix3.44 (4)
O2—O2xviii2.60 (7)Li1—Mn1xxi3.299 (16)
O2—O2x3.16 (7)Li1—Mn1xl3.299 (16)
O2—O2xix2.60 (8)Li1—Mn1xli3.299 (16)
O2—O3xx3.11 (8)Li1—Mn23.351 (11)
O2—O3xxi2.66 (8)Li1—Mn2xxxvi3.380 (16)
O2—O42.98 (7)Li1—Mn2xlii3.495 (12)
O2—O4xxii2.85 (7)Li1—Mn2viii3.351 (15)
O2—O4xvii2.85 (8)Li1—Mn2xliii3.380 (12)
O2—O4xviii3.01 (8)Li1—Mn2xliv3.495 (11)
O2—O4x2.85 (7)Li1—Mn2x3.351 (12)
O2—Li11.90 (5)Li1—Mn2xxiii3.380 (11)
O2—Mn1xxi1.95 (5)Li1—Mn2xlv3.495 (15)
O2—Mn2i3.35 (6)Mn1—O13.37 (6)
O2—Mn2viii1.94 (7)Mn1—O2vii1.95 (5)
O2—Mn2xxiii1.94 (5)Mn1—O2ix1.95 (5)
O3—O1xxiv2.89 (8)Mn1—O2xi1.95 (7)
O3—O1xxv2.89 (8)Mn1—O33.43 (5)
O3—O1xxvi2.89 (8)Mn1—O4vii2.01 (4)
O3—O2xxvii3.11 (8)Mn1—O4ix2.01 (5)
O3—O2vii2.66 (8)Mn1—O4xi2.01 (5)
O3—O2xxviii3.11 (7)Mn1—Li1vii3.299 (16)
O3—O2ix2.66 (8)Mn1—Li1xxxii3.299 (16)
O3—O2xxix3.11 (8)Mn1—Li1xiv3.299 (16)
O3—O2xi2.66 (7)Mn1—Mn2xxxii2.88 (2)
O3—O4xxv2.81 (7)Mn1—Mn2xiv2.93 (2)
O3—O4xxx2.81 (7)Mn1—Mn2xxxiii2.88 (2)
O3—O4xxxi2.81 (7)Mn1—Mn2xv2.93 (2)
O3—Li1xxvii2.01 (5)Mn1—Mn2xxxiv2.88 (2)
O3—Mn13.43 (5)Mn1—Mn2xvi2.93 (2)
O3—Mn2xxxii1.97 (5)Mn2—O1xli1.91 (6)
O3—Mn2xxxiii1.97 (5)Mn2—O2xvii3.35 (6)
O3—Mn2xxxiv1.97 (5)Mn2—O2xlvi1.94 (7)
O4—O13.18 (7)Mn2—O2x1.94 (5)
O4—O1xxi2.50 (8)Mn2—O3xl1.97 (5)
O4—O22.98 (7)Mn2—O4xiii3.31 (5)
O4—O2xiii2.85 (7)Mn2—O4viii1.89 (5)
O4—O2i2.85 (8)Mn2—O4xxxix1.90 (5)
O4—O2viii2.85 (8)Mn2—Li13.351 (11)
O4—O2xix3.01 (7)Mn2—Li1xii3.380 (16)
O4—O3v2.81 (7)Mn2—Li1xlvii3.495 (12)
O4—O4viii3.28 (6)Mn2—Mn1xl2.88 (2)
O4—O4xviii2.57 (6)Mn2—Mn1xli2.93 (2)
O4—O4x3.28 (7)Mn2—Mn2xliii2.864 (16)
O4—O4xix2.57 (6)Mn2—Mn2xxxvii2.861 (19)
O4—Li13.35 (5)Mn2—Mn2xlviii2.861 (16)
O4—Li1xiii3.42 (4)Mn2—Mn2iii2.86 (2)
O2i—O1—O2ii120 (3)O1xxxvi—Li1—O2viii102 (3)
O2i—O1—O2iii120 (3)O1xxxvi—Li1—O2x56 (3)
O2i—O1—O3iv172 (3)O1xxxvi—Li1—O3xx56 (2)
O2i—O1—O3v55 (3)O1xxxvi—Li1—O4151 (3)
O2i—O1—O3vi65 (3)O1xxxvi—Li1—O4xxii110 (2)
O2i—O1—O456 (2)O1xxxvi—Li1—O4xvii95 (2)
O2i—O1—O4vii63 (3)O1xxxvi—Li1—O4viii94 (2)
O2i—O1—O4viii118 (3)O1xxxvi—Li1—O4xxxvii54.7 (17)
O2i—O1—O4ix90 (3)O1xxxvi—Li1—O4xviii145 (3)
O2i—O1—O4x88 (3)O1xxxvi—Li1—O4x117 (2)
O2i—O1—O4xi125 (3)O1xxxvi—Li1—O4xxxix54.5 (16)
O2i—O1—Li1xii147 (2)O1xxxvi—Li1—Mn1xxi174 (2)
O2i—O1—Li1xiii88 (2)O1xxxvi—Li1—Mn1xl83.0 (16)
O2i—O1—Mn193 (2)O1xxxvi—Li1—Mn1xli87.3 (17)
O2i—O1—Mn2xiv138 (3)O1xxxvi—Li1—Mn263.7 (14)
O2i—O1—Mn2xv95 (3)O1xxxvi—Li1—Mn2xxxvi86.0 (16)
O2ii—O1—O2iii120 (4)O1xxxvi—Li1—Mn2viii127 (2)
O2ii—O1—O3iv55 (3)O1xxxvi—Li1—Mn2xliv79.8 (15)
O2ii—O1—O3v65 (3)O1xxxvi—Li1—Mn2x132 (2)
O2ii—O1—O3vi172 (4)O1xxxvi—Li1—Mn2xxiii123 (2)
O2ii—O1—O488 (3)O1xxxvi—Li1—Mn2xlv62.3 (14)
O2ii—O1—O4vii125 (4)O1xxii—Li1—O1xvii91 (2)
O2ii—O1—O4viii56 (2)O1xxii—Li1—O2102 (4)
O2ii—O1—O4ix63 (3)O1xxii—Li1—O2viii56 (3)
O2ii—O1—O4x118 (3)O1xxii—Li1—O2x144 (4)
O2ii—O1—O4xi90 (4)O1xxii—Li1—O3xx56 (2)
O2ii—O1—Li1xii88 (2)O1xxii—Li1—O494 (2)
O2ii—O1—Li1i147 (3)O1xxii—Li1—O4xxii54.7 (16)
O2ii—O1—Mn193 (3)O1xxii—Li1—O4xvii145 (3)
O2ii—O1—Mn2xv138 (4)O1xxii—Li1—O4viii117 (2)
O2ii—O1—Mn2xvi95 (3)O1xxii—Li1—O4xviii54.5 (17)
O2iii—O1—O3iv65 (3)O1xxii—Li1—O4x151 (3)
O2iii—O1—O3v172 (4)O1xxii—Li1—O4xxxviii110 (2)
O2iii—O1—O3vi55 (3)O1xxii—Li1—O4xxxix95 (2)
O2iii—O1—O4118 (3)O1xxii—Li1—Mn1xxi87.3 (17)
O2iii—O1—O4vii90 (3)O1xxii—Li1—Mn1xl174 (2)
O2iii—O1—O4viii88 (3)O1xxii—Li1—Mn1xli83.0 (16)
O2iii—O1—O4ix125 (4)O1xxii—Li1—Mn2127 (2)
O2iii—O1—O4x56 (3)O1xxii—Li1—Mn2xlii79.8 (16)
O2iii—O1—O4xi63 (3)O1xxii—Li1—Mn2viii132 (2)
O2iii—O1—Li1xiii147 (3)O1xxii—Li1—Mn2xliii123 (2)
O2iii—O1—Li1i88 (2)O1xxii—Li1—Mn2xliv62.3 (14)
O2iii—O1—Mn193 (2)O1xxii—Li1—Mn2x63.7 (14)
O2iii—O1—Mn2xiv95 (3)O1xxii—Li1—Mn2xxiii86.0 (16)
O2iii—O1—Mn2xvi138 (4)O1xvii—Li1—O256 (3)
O3iv—O1—O3v120 (3)O1xvii—Li1—O2viii144 (4)
O3iv—O1—O3vi120 (3)O1xvii—Li1—O2x102 (3)
O3iv—O1—O4117 (3)O1xvii—Li1—O3xx56 (2)
O3iv—O1—O4vii124 (3)O1xvii—Li1—O4117 (2)
O3iv—O1—O4viii55 (2)O1xvii—Li1—O4xvii54.5 (17)
O3iv—O1—O4ix91 (3)O1xvii—Li1—O4viii151 (3)
O3iv—O1—O4x90 (3)O1xvii—Li1—O4xxxvii110 (2)
O3iv—O1—O4xi62 (3)O1xvii—Li1—O4xviii95 (2)
O3iv—O1—Li1xiii86 (2)O1xvii—Li1—O4x94 (2)
O3iv—O1—Li1i149 (2)O1xvii—Li1—O4xxxviii54.7 (17)
O3iv—O1—Mn193 (2)O1xvii—Li1—O4xxxix145 (3)
O3iv—O1—Mn2xv93 (3)O1xvii—Li1—Mn1xxi83.0 (16)
O3iv—O1—Mn2xvi140 (3)O1xvii—Li1—Mn1xl87.3 (17)
O3v—O1—O3vi120 (3)O1xvii—Li1—Mn1xli174 (2)
O3v—O1—O455 (2)O1xvii—Li1—Mn2132 (2)
O3v—O1—O4vii91 (3)O1xvii—Li1—Mn2xxxvi123 (2)
O3v—O1—O4viii90 (3)O1xvii—Li1—Mn2xlii62.3 (14)
O3v—O1—O4ix62 (3)O1xvii—Li1—Mn2viii63.7 (14)
O3v—O1—O4x117 (3)O1xvii—Li1—Mn2xliii86.0 (16)
O3v—O1—O4xi124 (3)O1xvii—Li1—Mn2x127 (2)
O3v—O1—Li1xii149 (2)O1xvii—Li1—Mn2xlv79.8 (16)
O3v—O1—Li1i86 (2)O2—Li1—O2viii113 (5)
O3v—O1—Mn193 (2)O2—Li1—O2x113 (4)
O3v—O1—Mn2xiv93 (3)O2—Li1—O3xx106 (4)
O3v—O1—Mn2xv140 (3)O2—Li1—O462 (3)
O3vi—O1—O490 (3)O2—Li1—O4xxii56 (3)
O3vi—O1—O4vii62 (3)O2—Li1—O4xvii56 (3)
O3vi—O1—O4viii117 (3)O2—Li1—O4viii109 (3)
O3vi—O1—O4ix124 (3)O2—Li1—O4xxxvii144 (4)
O3vi—O1—O4x55 (2)O2—Li1—O4xviii61 (3)
O3vi—O1—O4xi91 (3)O2—Li1—O4x58 (3)
O3vi—O1—Li1xii86 (2)O2—Li1—O4xxxviii102 (3)
O3vi—O1—Li1xiii149 (2)O2—Li1—O4xxxix153 (4)
O3vi—O1—Mn193 (2)O2—Li1—Mn1xl82 (3)
O3vi—O1—Mn2xiv140 (3)O2—Li1—Mn1xli127 (3)
O3vi—O1—Mn2xvi93 (3)O2—Li1—Mn2126 (3)
O4—O1—O4vii119 (3)O2—Li1—Mn2xxxvi122 (3)
O4—O1—O4viii62 (2)O2—Li1—Mn2xlii118 (3)
O4—O1—O4ix117 (3)O2—Li1—Mn2xliii122 (3)
O4—O1—O4x62 (2)O2—Li1—Mn2xliv77 (3)
O4—O1—O4xi178 (3)O2—Li1—Mn2x83 (3)
O4—O1—Li1xii113 (2)O2—Li1—Mn2xlv118 (3)
O4—O1—Li1xiii61.3 (18)O2viii—Li1—O2x113 (5)
O4—O1—Li1i61.9 (18)O2viii—Li1—O3xx106 (4)
O4—O1—Mn1143 (2)O2viii—Li1—O458 (3)
O4—O1—Mn2xiv130 (3)O2viii—Li1—O4xxii102 (3)
O4—O1—Mn2xv133 (3)O2viii—Li1—O4xvii153 (4)
O4—O1—Mn2xvi84 (3)O2viii—Li1—O4viii62 (3)
O4vii—O1—O4viii178 (4)O2viii—Li1—O4xxxvii56 (3)
O4vii—O1—O4ix62 (3)O2viii—Li1—O4xviii56 (3)
O4vii—O1—O4x117 (3)O2viii—Li1—O4x109 (4)
O4vii—O1—O4xi62 (3)O2viii—Li1—O4xxxviii144 (4)
O4vii—O1—Li1xii117 (3)O2viii—Li1—O4xxxix61 (3)
O4vii—O1—Li1xiii120 (3)O2viii—Li1—Mn1xxi82 (3)
O4vii—O1—Li1i67 (2)O2viii—Li1—Mn1xl127 (4)
O4vii—O1—Mn2xiv96 (3)O2viii—Li1—Mn283 (3)
O4vii—O1—Mn2xv49 (3)O2viii—Li1—Mn2xlii118 (3)
O4vii—O1—Mn2xvi49 (3)O2viii—Li1—Mn2viii126 (4)
O4viii—O1—O4ix119 (3)O2viii—Li1—Mn2xliii122 (3)
O4viii—O1—O4x62 (2)O2viii—Li1—Mn2xliv118 (3)
O4viii—O1—O4xi117 (3)O2viii—Li1—Mn2xxiii122 (3)
O4viii—O1—Li1xii61.3 (19)O2viii—Li1—Mn2xlv77 (3)
O4viii—O1—Li1xiii61.9 (19)O2x—Li1—O3xx106 (4)
O4viii—O1—Li1i113 (2)O2x—Li1—O4109 (3)
O4viii—O1—Mn1143 (2)O2x—Li1—O4xxii144 (4)
O4viii—O1—Mn2xiv84 (3)O2x—Li1—O4xvii61 (3)
O4viii—O1—Mn2xv130 (3)O2x—Li1—O4viii58 (3)
O4viii—O1—Mn2xvi133 (3)O2x—Li1—O4xxxvii102 (4)
O4ix—O1—O4x178 (3)O2x—Li1—O4xviii153 (4)
O4ix—O1—O4xi62 (3)O2x—Li1—O4x62 (3)
O4ix—O1—Li1xii120 (3)O2x—Li1—O4xxxviii56 (3)
O4ix—O1—Li1xiii67 (2)O2x—Li1—O4xxxix56 (3)
O4ix—O1—Li1i117 (2)O2x—Li1—Mn1xxi127 (3)
O4ix—O1—Mn2xiv49 (3)O2x—Li1—Mn1xli82 (3)
O4ix—O1—Mn2xv96 (3)O2x—Li1—Mn2xxxvi122 (3)
O4ix—O1—Mn2xvi49 (3)O2x—Li1—Mn2xlii77 (3)
O4x—O1—O4xi119 (3)O2x—Li1—Mn2viii83 (3)
O4x—O1—Li1xii61.9 (18)O2x—Li1—Mn2xliv118 (3)
O4x—O1—Li1xiii113 (2)O2x—Li1—Mn2x126 (3)
O4x—O1—Li1i61.3 (18)O2x—Li1—Mn2xxiii122 (3)
O4x—O1—Mn1143 (2)O2x—Li1—Mn2xlv118 (3)
O4x—O1—Mn2xiv133 (3)O3xx—Li1—O4145 (3)
O4x—O1—Mn2xv84 (3)O3xx—Li1—O4xxii55 (2)
O4x—O1—Mn2xvi130 (3)O3xx—Li1—O4xvii101 (3)
O4xi—O1—Li1xii67 (2)O3xx—Li1—O4viii145 (3)
O4xi—O1—Li1xiii117 (3)O3xx—Li1—O4xxxvii55 (2)
O4xi—O1—Li1i120 (2)O3xx—Li1—O4xviii101 (3)
O4xi—O1—Mn2xiv49 (3)O3xx—Li1—O4x145 (3)
O4xi—O1—Mn2xv49 (3)O3xx—Li1—O4xxxviii55 (2)
O4xi—O1—Mn2xvi96 (3)O3xx—Li1—O4xxxix101 (3)
Li1xii—O1—Li1xiii114.8 (13)O3xx—Li1—Mn1xxi119 (3)
Li1xii—O1—Li1i114.8 (13)O3xx—Li1—Mn1xl119 (3)
Li1xii—O1—Mn1103.4 (14)O3xx—Li1—Mn1xli119 (3)
Li1xii—O1—Mn2xiv74 (2)O3xx—Li1—Mn2119 (2)
Li1xii—O1—Mn2xv71 (2)O3xx—Li1—Mn2xxxvi77 (2)
Li1xii—O1—Mn2xvi163 (2)O3xx—Li1—Mn2viii119 (2)
Li1xiii—O1—Li1i114.8 (13)O3xx—Li1—Mn2xliii77 (2)
Li1xiii—O1—Mn1103.4 (14)O3xx—Li1—Mn2x119 (2)
Li1xiii—O1—Mn2xiv71 (2)O3xx—Li1—Mn2xxiii77 (2)
Li1xiii—O1—Mn2xv163 (2)O4—Li1—O4xxii95.7 (19)
Li1xiii—O1—Mn2xvi74 (2)O4—Li1—O4xvii97 (2)
Li1i—O1—Mn1103.4 (14)O4—Li1—O4viii58.8 (15)
Li1i—O1—Mn2xiv163 (2)O4—Li1—O4xxxvii114 (2)
Li1i—O1—Mn2xv74 (2)O4—Li1—O4x58.8 (17)
Li1i—O1—Mn2xvi71 (2)O4—Li1—O4xxxviii154 (3)
Mn1—O1—Mn2xiv60 (2)O4—Li1—O4xxxix96 (2)
Mn1—O1—Mn2xv60 (2)O4—Li1—Mn1xl92.3 (16)
Mn1—O1—Mn2xvi60 (2)O4—Li1—Mn1xli64.8 (13)
Mn2xiv—O1—Mn2xv97 (3)O4—Li1—Mn290.9 (15)
Mn2xiv—O1—Mn2xvi97 (3)O4—Li1—Mn2xxxvi82.9 (14)
Mn2xv—O1—Mn2xvi97 (3)O4—Li1—Mn2xlii173.4 (19)
O1xvii—O2—O2viii117 (3)O4—Li1—Mn2viii67.6 (13)
O1xvii—O2—O2xviii89 (3)O4—Li1—Mn2xliii137.1 (18)
O1xvii—O2—O2x91 (3)O4—Li1—Mn2xliv127.5 (17)
O1xvii—O2—O2xix123 (4)O4—Li1—Mn2xxiii86.1 (13)
O1xvii—O2—O3xx57 (3)O4—Li1—Mn2xlv125.1 (17)
O1xvii—O2—O3xxi62 (3)O4xxii—Li1—O4xvii91.3 (19)
O1xvii—O2—O4170 (3)O4xxii—Li1—O4viii154 (2)
O1xvii—O2—O4xxii52 (3)O4xxii—Li1—O4xxxvii90.7 (18)
O1xvii—O2—O4xvii67 (3)O4xxii—Li1—O4xviii57.2 (15)
O1xvii—O2—O4xviii120 (3)O4xxii—Li1—O4x114 (2)
O1xvii—O2—O4x121 (3)O4xxii—Li1—O4xxxviii90.7 (19)
O1xvii—O2—Li191 (3)O4xxii—Li1—O4xxxix148 (2)
O1xvii—O2—Mn1xxi136 (3)O4xxii—Li1—Mn1xxi64.0 (12)
O1xvii—O2—Mn2i91 (2)O4xxii—Li1—Mn1xl126.0 (16)
O1xvii—O2—Mn2viii94 (3)O4xxii—Li1—Mn1xli133.1 (16)
O2viii—O2—O2xviii119 (3)O4xxii—Li1—Mn2173.0 (16)
O2viii—O2—O2x60 (3)O4xxii—Li1—Mn2xxxvi86.0 (13)
O2viii—O2—O2xix120 (4)O4xxii—Li1—Mn2xlii79.8 (13)
O2viii—O2—O3xx60 (3)O4xxii—Li1—Mn2viii82.4 (13)
O2viii—O2—O3xxi179 (4)O4xxii—Li1—Mn2xliii122.7 (16)
O2viii—O2—O455 (2)O4xxii—Li1—Mn2x88.6 (13)
O2viii—O2—O4xxii90 (3)O4xxii—Li1—Mn2xlv61.2 (11)
O2viii—O2—O4xvii120 (4)O4xvii—Li1—O4viii96.3 (19)
O2viii—O2—O4xviii55 (2)O4xvii—Li1—O4xxxvii148 (2)
O2viii—O2—O4x92 (3)O4xvii—Li1—O4xviii116 (2)
O2viii—O2—Mn1xxi85 (3)O4xvii—Li1—O4xxxviii57.2 (16)
O2viii—O2—Mn2i144 (3)O4xvii—Li1—O4xxxix116 (2)
O2viii—O2—Mn2viii134 (4)O4xvii—Li1—Mn1xxi83.2 (14)
O2viii—O2—Mn2xxiii131 (3)O4xvii—Li1—Mn1xli131.5 (17)
O2xviii—O2—O2x178 (3)O4xvii—Li1—Mn285.7 (13)
O2xviii—O2—O2xix60 (3)O4xvii—Li1—Mn2xxxvi177.3 (19)
O2xviii—O2—O3xx119 (3)O4xvii—Li1—Mn2xlii87.6 (14)
O2xviii—O2—O3xxi61 (3)O4xvii—Li1—Mn2xliii66.1 (12)
O2xviii—O2—O490 (3)O4xvii—Li1—Mn2xliv85.1 (14)
O2xviii—O2—O4xxii63 (3)O4xvii—Li1—Mn2x129.7 (17)
O2xviii—O2—O4xvii122 (3)O4xvii—Li1—Mn2xxiii62.1 (12)
O2xviii—O2—O4xviii64 (3)O4xvii—Li1—Mn2xlv129.3 (18)
O2xviii—O2—O4x122 (3)O4viii—Li1—O4xxxvii96 (2)
O2xviii—O2—Li1145 (3)O4viii—Li1—O4xviii97.5 (19)
O2xviii—O2—Mn1xxi48 (2)O4viii—Li1—O4x58.8 (15)
O2xviii—O2—Mn2viii94 (4)O4viii—Li1—O4xxxviii114 (2)
O2xviii—O2—Mn2xxiii48 (2)O4viii—Li1—Mn1xxi92.3 (14)
O2x—O2—O2xix122 (3)O4viii—Li1—Mn1xl64.8 (12)
O2x—O2—O3xx60 (2)O4viii—Li1—Mn2xxxvi86.1 (14)
O2x—O2—O3xxi121 (3)O4viii—Li1—Mn2xlii125.1 (16)
O2x—O2—O490 (3)O4viii—Li1—Mn2viii90.9 (13)
O2x—O2—O4xxii115 (3)O4viii—Li1—Mn2xliii82.9 (13)
O2x—O2—O4xvii60 (3)O4viii—Li1—Mn2xliv173.4 (16)
O2x—O2—O4xviii115 (3)O4viii—Li1—Mn2x67.6 (12)
O2x—O2—O4x59 (3)O4viii—Li1—Mn2xxiii137.1 (15)
O2x—O2—Mn1xxi132 (3)O4viii—Li1—Mn2xlv127.5 (16)
O2x—O2—Mn2i147 (2)O4xxxvii—Li1—O4xviii91 (2)
O2x—O2—Mn2viii88 (3)O4xxxvii—Li1—O4x154 (3)
O2x—O2—Mn2xxiii132 (3)O4xxxvii—Li1—O4xxxviii91 (2)
O2xix—O2—O3xx179 (4)O4xxxvii—Li1—O4xxxix57.2 (15)
O2xix—O2—O3xxi61 (3)O4xxxvii—Li1—Mn1xxi126.0 (18)
O2xix—O2—O465 (3)O4xxxvii—Li1—Mn1xl133.1 (18)
O2xix—O2—O4xxii123 (4)O4xxxvii—Li1—Mn1xli64.0 (12)
O2xix—O2—O4xvii89 (3)O4xxxvii—Li1—Mn288.6 (14)
O2xix—O2—O4xviii89 (4)O4xxxvii—Li1—Mn2xlii61.2 (12)
O2xix—O2—O4x63 (3)O4xxxvii—Li1—Mn2viii173.0 (19)
O2xix—O2—Li1142 (4)O4xxxvii—Li1—Mn2xliii86.0 (14)
O2xix—O2—Mn1xxi48 (3)O4xxxvii—Li1—Mn2xliv79.8 (13)
O2xix—O2—Mn2viii48 (3)O4xxxvii—Li1—Mn2x82.4 (14)
O2xix—O2—Mn2xxiii94 (3)O4xxxvii—Li1—Mn2xxiii122.7 (16)
O3xx—O2—O3xxi120 (3)O4xviii—Li1—O4x96 (2)
O3xx—O2—O4115 (3)O4xviii—Li1—O4xxxviii148 (2)
O3xx—O2—O4xxii56 (2)O4xviii—Li1—O4xxxix116 (2)
O3xx—O2—O4xvii92 (3)O4xviii—Li1—Mn1xl131.5 (18)
O3xx—O2—O4xviii89 (3)O4xviii—Li1—Mn1xli83.2 (13)
O3xx—O2—O4x119 (3)O4xviii—Li1—Mn2129.7 (17)
O3xx—O2—Mn1xxi131 (3)O4xviii—Li1—Mn2xxxvi62.1 (12)
O3xx—O2—Mn2i144 (2)O4xviii—Li1—Mn2xlii129.3 (17)
O3xx—O2—Mn2viii134 (3)O4xviii—Li1—Mn2viii85.7 (14)
O3xx—O2—Mn2xxiii86 (3)O4xviii—Li1—Mn2xliii177.3 (19)
O3xxi—O2—O4125 (3)O4xviii—Li1—Mn2xliv87.6 (14)
O3xxi—O2—O4xxii89 (3)O4xviii—Li1—Mn2xxiii66.1 (12)
O3xxi—O2—O4xvii61 (3)O4xviii—Li1—Mn2xlv85.1 (14)
O3xxi—O2—O4xviii124 (3)O4x—Li1—O4xxxviii96 (2)
O3xxi—O2—O4x89 (3)O4x—Li1—O4xxxix97 (2)
O3xxi—O2—Li1146 (3)O4x—Li1—Mn1xxi64.8 (13)
O3xxi—O2—Mn1xxi95 (3)O4x—Li1—Mn1xli92.3 (15)
O3xxi—O2—Mn2viii48 (3)O4x—Li1—Mn267.6 (12)
O3xxi—O2—Mn2xxiii48 (3)O4x—Li1—Mn2xxxvi137.1 (19)
O4—O2—O4xxii119 (3)O4x—Li1—Mn2xlii127.5 (17)
O4—O2—O4xvii122 (3)O4x—Li1—Mn2xliii86.1 (15)
O4—O2—O4xviii51 (2)O4x—Li1—Mn2xliv125.1 (17)
O4—O2—O4x69 (3)O4x—Li1—Mn2x90.9 (15)
O4—O2—Li184 (3)O4x—Li1—Mn2xxiii82.9 (13)
O4—O2—Mn2i94 (2)O4x—Li1—Mn2xlv173.4 (19)
O4—O2—Mn2viii96 (3)O4xxxviii—Li1—O4xxxix91.3 (18)
O4—O2—Mn2xxiii137 (3)O4xxxviii—Li1—Mn1xxi133.1 (18)
O4xxii—O2—O4xvii119 (3)O4xxxviii—Li1—Mn1xl64.0 (12)
O4xxii—O2—O4xviii68 (3)O4xxxviii—Li1—Mn1xli126.0 (17)
O4xxii—O2—O4x172 (3)O4xxxviii—Li1—Mn282.4 (13)
O4xxii—O2—Li190 (3)O4xxxviii—Li1—Mn2xxxvi122.7 (17)
O4xxii—O2—Mn1xxi94 (3)O4xxxviii—Li1—Mn2viii88.6 (15)
O4xxii—O2—Mn2i92 (2)O4xxxviii—Li1—Mn2xliv61.2 (12)
O4xxii—O2—Mn2viii136 (4)O4xxxviii—Li1—Mn2x173.0 (19)
O4xvii—O2—O4xviii172 (3)O4xxxviii—Li1—Mn2xxiii86.0 (14)
O4xvii—O2—O4x54 (3)O4xxxviii—Li1—Mn2xlv79.8 (14)
O4xvii—O2—Li191 (3)O4xxxix—Li1—Mn1xxi131.5 (17)
O4xvii—O2—Mn1xxi137 (3)O4xxxix—Li1—Mn1xl83.2 (14)
O4xvii—O2—Mn2i91 (2)O4xxxix—Li1—Mn2xxxvi66.1 (12)
O4xvii—O2—Mn2xxiii92 (3)O4xxxix—Li1—Mn2xlii85.1 (12)
O4xviii—O2—O4x119 (3)O4xxxix—Li1—Mn2viii129.7 (16)
O4xviii—O2—Li186 (3)O4xxxix—Li1—Mn2xliii62.1 (11)
O4xviii—O2—Mn2i92 (2)O4xxxix—Li1—Mn2xliv129.3 (15)
O4xviii—O2—Mn2viii136 (4)O4xxxix—Li1—Mn2x85.7 (13)
O4xviii—O2—Mn2xxiii95 (3)O4xxxix—Li1—Mn2xxiii177.3 (16)
O4x—O2—Li187 (3)O4xxxix—Li1—Mn2xlv87.6 (13)
O4x—O2—Mn1xxi94 (3)Mn1xxi—Li1—Mn1xl98.3 (7)
O4x—O2—Mn2i91 (2)Mn1xxi—Li1—Mn1xli98.3 (7)
O4x—O2—Mn2xxiii136 (3)Mn1xxi—Li1—Mn2121.7 (7)
Li1—O2—Mn1xxi119 (2)Mn1xxi—Li1—Mn2xxxvi95.7 (7)
Li1—O2—Mn2i177 (2)Mn1xxi—Li1—Mn2xlii142.3 (7)
Li1—O2—Mn2viii121 (3)Mn1xxi—Li1—Mn2viii51.4 (5)
Li1—O2—Mn2xxiii124 (2)Mn1xxi—Li1—Mn2xliii148.0 (7)
Mn1xxi—O2—Mn2i58.9 (19)Mn1xxi—Li1—Mn2xliv94.3 (6)
Mn1xxi—O2—Mn2viii95 (3)Mn1xxi—Li1—Mn2x52.2 (5)
Mn1xxi—O2—Mn2xxiii96 (2)Mn1xxi—Li1—Mn2xxiii51.1 (4)
Mn2i—O2—Mn2viii58 (2)Mn1xxi—Li1—Mn2xlv114.8 (7)
Mn2i—O2—Mn2xxiii58.5 (19)Mn1xl—Li1—Mn1xli98.3 (7)
Mn2viii—O2—Mn2xxiii95 (3)Mn1xl—Li1—Mn251.4 (5)
O1xxiv—O3—O1xxv120 (3)Mn1xl—Li1—Mn2xxxvi148.0 (8)
O1xxiv—O3—O1xxvi120 (3)Mn1xl—Li1—Mn2xlii94.3 (6)
O1xxiv—O3—O2xxvii119 (3)Mn1xl—Li1—Mn2viii52.2 (5)
O1xxiv—O3—O2vii121 (4)Mn1xl—Li1—Mn2xliii51.1 (5)
O1xxiv—O3—O2xxviii92 (3)Mn1xl—Li1—Mn2xliv114.8 (7)
O1xxiv—O3—O2ix63 (3)Mn1xl—Li1—Mn2x121.7 (7)
O1xxiv—O3—O2xxix58 (3)Mn1xl—Li1—Mn2xxiii95.7 (6)
O1xxiv—O3—O2xi88 (3)Mn1xl—Li1—Mn2xlv142.3 (8)
O1xxiv—O3—O4xxv172 (4)Mn1xli—Li1—Mn252.2 (5)
O1xxiv—O3—O4xxx68 (3)Mn1xli—Li1—Mn2xxxvi51.1 (5)
O1xxiv—O3—O4xxxi52 (2)Mn1xli—Li1—Mn2xlii114.8 (7)
O1xxiv—O3—Li1xxvii89 (3)Mn1xli—Li1—Mn2viii121.7 (7)
O1xxiv—O3—Mn191 (2)Mn1xli—Li1—Mn2xliii95.7 (6)
O1xxiv—O3—Mn2xxxiii134 (3)Mn1xli—Li1—Mn2xliv142.3 (7)
O1xxiv—O3—Mn2xxxiv94 (3)Mn1xli—Li1—Mn2x51.4 (5)
O1xxv—O3—O1xxvi120 (3)Mn1xli—Li1—Mn2xxiii148.0 (7)
O1xxv—O3—O2xxvii92 (3)Mn1xli—Li1—Mn2xlv94.3 (6)
O1xxv—O3—O2vii63 (3)Mn2—Li1—Mn2xxxvi97.0 (6)
O1xxv—O3—O2xxviii58 (3)Mn2—Li1—Mn2xlii93.8 (5)
O1xxv—O3—O2ix88 (3)Mn2—Li1—Mn2viii98.2 (5)
O1xxv—O3—O2xxix119 (4)Mn2—Li1—Mn2xliii50.4 (4)
O1xxv—O3—O2xi121 (4)Mn2—Li1—Mn2xliv141.4 (6)
O1xxv—O3—O4xxv68 (3)Mn2—Li1—Mn2x98.2 (5)
O1xxv—O3—O4xxx52 (2)Mn2—Li1—Mn2xxiii146.8 (6)
O1xxv—O3—O4xxxi172 (4)Mn2—Li1—Mn2xlv116.3 (6)
O1xxv—O3—Li1xxvii89 (3)Mn2xxxvi—Li1—Mn2xlii91.9 (5)
O1xxv—O3—Mn191 (2)Mn2xxxvi—Li1—Mn2viii146.8 (8)
O1xxv—O3—Mn2xxxii134 (3)Mn2xxxvi—Li1—Mn2xliii115.3 (7)
O1xxv—O3—Mn2xxxiii94 (3)Mn2xxxvi—Li1—Mn2xliv92.5 (5)
O1xxvi—O3—O2xxvii58 (3)Mn2xxxvi—Li1—Mn2x50.4 (4)
O1xxvi—O3—O2vii88 (3)Mn2xxxvi—Li1—Mn2xxiii115.3 (6)
O1xxvi—O3—O2xxviii119 (3)Mn2xxxvi—Li1—Mn2xlv49.1 (4)
O1xxvi—O3—O2ix121 (4)Mn2xlii—Li1—Mn2viii116.3 (7)
O1xxvi—O3—O2xxix92 (3)Mn2xlii—Li1—Mn2xliii49.1 (4)
O1xxvi—O3—O2xi63 (3)Mn2xlii—Li1—Mn2xliv48.4 (3)
O1xxvi—O3—O4xxv52 (2)Mn2xlii—Li1—Mn2x141.4 (6)
O1xxvi—O3—O4xxx172 (4)Mn2xlii—Li1—Mn2xxiii92.5 (5)
O1xxvi—O3—O4xxxi68 (3)Mn2xlii—Li1—Mn2xlv48.4 (4)
O1xxvi—O3—Li1xxvii89 (3)Mn2viii—Li1—Mn2xliii97.0 (6)
O1xxvi—O3—Mn191 (2)Mn2viii—Li1—Mn2xliv93.8 (6)
O1xxvi—O3—Mn2xxxii94 (3)Mn2viii—Li1—Mn2x98.2 (6)
O1xxvi—O3—Mn2xxxiv134 (3)Mn2viii—Li1—Mn2xxiii50.4 (4)
O2xxvii—O3—O2vii120 (4)Mn2viii—Li1—Mn2xlv141.4 (8)
O2xxvii—O3—O2xxviii61 (3)Mn2xliii—Li1—Mn2xliv91.9 (5)
O2xxvii—O3—O2ix179 (4)Mn2xliii—Li1—Mn2x146.8 (6)
O2xxvii—O3—O2xxix61 (2)Mn2xliii—Li1—Mn2xxiii115.3 (5)
O2xxvii—O3—O2xi120 (3)Mn2xliii—Li1—Mn2xlv92.5 (6)
O2xxvii—O3—O4xxv57 (2)Mn2xliv—Li1—Mn2x116.3 (5)
O2xxvii—O3—O4xxx118 (3)Mn2xliv—Li1—Mn2xxiii49.1 (4)
O2xxvii—O3—O4xxxi91 (3)Mn2xliv—Li1—Mn2xlv48.4 (4)
O2xxvii—O3—Mn1144 (3)Mn2x—Li1—Mn2xxiii97.0 (5)
O2xxvii—O3—Mn2xxxii134 (3)Mn2x—Li1—Mn2xlv93.8 (5)
O2xxvii—O3—Mn2xxxiii87 (3)Mn2xxiii—Li1—Mn2xlv91.9 (6)
O2xxvii—O3—Mn2xxxiv133 (4)O1—Mn1—O2vii129 (4)
O2vii—O3—O2xxviii120 (3)O1—Mn1—O2ix129 (4)
O2vii—O3—O2ix59 (3)O1—Mn1—O2xi129 (4)
O2vii—O3—O2xxix179 (4)O1—Mn1—O3180 (3)
O2vii—O3—O2xi59 (3)O1—Mn1—O4vii47 (2)
O2vii—O3—O4xxv63 (3)O1—Mn1—O4ix47 (2)
O2vii—O3—O4xxx89 (3)O1—Mn1—O4xi47 (2)
O2vii—O3—O4xxxi121 (4)O1—Mn1—Li1vii99.1 (18)
O2vii—O3—Li1xxvii146 (4)O1—Mn1—Li1xxxii99.1 (18)
O2vii—O3—Mn2xxxii91 (3)O1—Mn1—Li1xiv99.1 (18)
O2vii—O3—Mn2xxxiii47 (3)O1—Mn1—Mn2xxxii145 (2)
O2vii—O3—Mn2xxxiv47 (3)O1—Mn1—Mn2xxxiii145 (2)
O2xxviii—O3—O2ix120 (3)O1—Mn1—Mn2xxxiv145 (2)
O2xxviii—O3—O2xxix61 (3)O2vii—Mn1—O2ix84 (3)
O2xxviii—O3—O2xi179 (3)O2vii—Mn1—O2xi84 (4)
O2xxviii—O3—O4xxv91 (3)O2vii—Mn1—O351 (3)
O2xxviii—O3—O4xxx57 (2)O2vii—Mn1—O4vii98 (4)
O2xxviii—O3—O4xxxi118 (3)O2vii—Mn1—O4ix99 (4)
O2xxviii—O3—Mn1144 (2)O2vii—Mn1—O4xi177 (5)
O2xxviii—O3—Mn2xxxii133 (3)O2vii—Mn1—Li1xxxii107 (3)
O2xxviii—O3—Mn2xxxiii134 (3)O2vii—Mn1—Li1xiv106 (2)
O2xxviii—O3—Mn2xxxiv87 (3)O2vii—Mn1—Mn2xxxii86 (3)
O2ix—O3—O2xxix120 (4)O2vii—Mn1—Mn2xiv139 (3)
O2ix—O3—O2xi59 (3)O2vii—Mn1—Mn2xv137 (3)
O2ix—O3—O4xxv121 (3)O2vii—Mn1—Mn2xvi95 (3)
O2ix—O3—O4xxx63 (3)O2ix—Mn1—O2xi84 (4)
O2ix—O3—O4xxxi89 (3)O2ix—Mn1—O351 (3)
O2ix—O3—Li1xxvii146 (4)O2ix—Mn1—O4vii177 (4)
O2ix—O3—Mn2xxxii47 (3)O2ix—Mn1—O4ix98 (4)
O2ix—O3—Mn2xxxiii91 (3)O2ix—Mn1—O4xi99 (4)
O2ix—O3—Mn2xxxiv47 (3)O2ix—Mn1—Li1vii107 (2)
O2xxix—O3—O2xi120 (3)O2ix—Mn1—Li1xxxii106 (3)
O2xxix—O3—O4xxv118 (3)O2ix—Mn1—Mn2xiv95 (3)
O2xxix—O3—O4xxx91 (3)O2ix—Mn1—Mn2xxxiii86 (3)
O2xxix—O3—O4xxxi57 (2)O2ix—Mn1—Mn2xv139 (3)
O2xxix—O3—Mn1144 (3)O2ix—Mn1—Mn2xvi137 (3)
O2xxix—O3—Mn2xxxii87 (3)O2xi—Mn1—O351 (3)
O2xxix—O3—Mn2xxxiii133 (3)O2xi—Mn1—O4vii99 (4)
O2xxix—O3—Mn2xxxiv134 (4)O2xi—Mn1—O4ix177 (6)
O2xi—O3—O4xxv89 (3)O2xi—Mn1—O4xi98 (4)
O2xi—O3—O4xxx121 (3)O2xi—Mn1—Li1vii106 (3)
O2xi—O3—O4xxxi63 (3)O2xi—Mn1—Li1xiv107 (3)
O2xi—O3—Li1xxvii146 (3)O2xi—Mn1—Mn2xiv137 (4)
O2xi—O3—Mn2xxxii47 (2)O2xi—Mn1—Mn2xv95 (3)
O2xi—O3—Mn2xxxiii47 (2)O2xi—Mn1—Mn2xxxiv86 (3)
O2xi—O3—Mn2xxxiv91 (3)O2xi—Mn1—Mn2xvi139 (4)
O4xxv—O3—O4xxx120 (3)O3—Mn1—O4vii133 (3)
O4xxv—O3—O4xxxi120 (3)O3—Mn1—O4ix133 (3)
O4xxv—O3—Li1xxvii89 (2)O3—Mn1—O4xi133 (3)
O4xxv—O3—Mn191 (2)O3—Mn1—Li1vii80.9 (14)
O4xxv—O3—Mn2xxxii136 (3)O3—Mn1—Li1xxxii80.9 (14)
O4xxv—O3—Mn2xxxiv93 (3)O3—Mn1—Li1xiv80.9 (14)
O4xxx—O3—O4xxxi120 (3)O3—Mn1—Mn2xiv146 (2)
O4xxx—O3—Li1xxvii89 (3)O3—Mn1—Mn2xv146 (2)
O4xxx—O3—Mn191 (2)O3—Mn1—Mn2xvi146 (2)
O4xxx—O3—Mn2xxxii93 (3)O4vii—Mn1—O4ix79 (3)
O4xxx—O3—Mn2xxxiii136 (3)O4vii—Mn1—O4xi79 (3)
O4xxxi—O3—Li1xxvii89 (3)O4vii—Mn1—Li1vii73.7 (19)
O4xxxi—O3—Mn191 (2)O4vii—Mn1—Li1xxxii76.6 (19)
O4xxxi—O3—Mn2xxxiii93 (3)O4vii—Mn1—Li1xiv147 (2)
O4xxxi—O3—Mn2xxxiv136 (3)O4vii—Mn1—Mn2xxxii141 (2)
Li1xxvii—O3—Mn1180.0 (18)O4vii—Mn1—Mn2xiv82 (2)
Li1xxvii—O3—Mn2xxxii123 (2)O4vii—Mn1—Mn2xxxiii97 (2)
Li1xxvii—O3—Mn2xxxiii123 (2)O4vii—Mn1—Mn2xxxiv139 (2)
Li1xxvii—O3—Mn2xxxiv123 (2)O4ix—Mn1—O4xi79 (3)
Mn1—O3—Mn2xxxii57.1 (18)O4ix—Mn1—Li1vii77 (2)
Mn1—O3—Mn2xxxiii57.1 (18)O4ix—Mn1—Li1xxxii147 (3)
Mn1—O3—Mn2xxxiv57.1 (18)O4ix—Mn1—Li1xiv73.7 (19)
Mn2xxxii—O3—Mn2xxxiii93 (2)O4ix—Mn1—Mn2xxxii139 (3)
Mn2xxxii—O3—Mn2xxxiv93 (2)O4ix—Mn1—Mn2xxxiii141 (3)
Mn2xxxiii—O3—Mn2xxxiv93 (2)O4ix—Mn1—Mn2xv82 (2)
O1—O4—O1xxi123 (4)O4ix—Mn1—Mn2xxxiv97 (2)
O1—O4—O2113 (3)O4xi—Mn1—Li1vii147 (3)
O1—O4—O2xiii91 (3)O4xi—Mn1—Li1xxxii74 (2)
O1—O4—O2i57 (2)O4xi—Mn1—Li1xiv77 (2)
O1—O4—O2viii116 (4)O4xi—Mn1—Mn2xxxii97 (2)
O1—O4—O2xix88 (3)O4xi—Mn1—Mn2xxxiii139 (3)
O1—O4—O3v57 (2)O4xi—Mn1—Mn2xxxiv141 (3)
O1—O4—O4viii59 (2)O4xi—Mn1—Mn2xvi82 (2)
O1—O4—O4xviii178 (4)Li1vii—Mn1—Li1xxxii117.5 (4)
O1—O4—O4x59 (2)Li1vii—Mn1—Li1xiv117.5 (4)
O1—O4—O4xix120 (3)Li1vii—Mn1—Mn2xxxii115.9 (7)
O1—O4—Li1109 (2)Li1vii—Mn1—Mn2xiv115.3 (6)
O1—O4—Li1xiii64.0 (18)Li1vii—Mn1—Mn2xxxiii65.2 (6)
O1—O4—Li1i63.6 (19)Li1vii—Mn1—Mn2xv113.0 (6)
O1—O4—Mn1xxi128 (3)Li1vii—Mn1—Mn2xxxiv66.0 (5)
O1—O4—Mn2xxii146 (3)Li1vii—Mn1—Mn2xvi64.8 (6)
O1—O4—Mn2xxxv87 (3)Li1xxxii—Mn1—Li1xiv117.5 (4)
O1—O4—Mn2x134 (3)Li1xxxii—Mn1—Mn2xxxii65.2 (6)
O1xxi—O4—O2124 (4)Li1xxxii—Mn1—Mn2xiv113.0 (7)
O1xxi—O4—O2xiii65 (3)Li1xxxii—Mn1—Mn2xxxiii66.0 (6)
O1xxi—O4—O2i92 (4)Li1xxxii—Mn1—Mn2xv64.8 (6)
O1xxi—O4—O2viii92 (3)Li1xxxii—Mn1—Mn2xxxiv115.9 (6)
O1xxi—O4—O2xix123 (4)Li1xxxii—Mn1—Mn2xvi115.3 (7)
O1xxi—O4—O3v66 (3)Li1xiv—Mn1—Mn2xxxii66.0 (6)
O1xxi—O4—O4viii124 (3)Li1xiv—Mn1—Mn2xiv64.8 (6)
O1xxi—O4—O4xviii59 (3)Li1xiv—Mn1—Mn2xxxiii115.9 (7)
O1xxi—O4—O4x176 (4)Li1xiv—Mn1—Mn2xv115.3 (6)
O1xxi—O4—O4xix59 (3)Li1xiv—Mn1—Mn2xxxiv65.2 (5)
O1xxi—O4—Li1120 (3)Li1xiv—Mn1—Mn2xvi113.0 (6)
O1xxi—O4—Li1xiii71 (2)Mn2xxxii—Mn1—Mn2xiv120.5 (9)
O1xxi—O4—Li1i116 (3)Mn2xxxii—Mn1—Mn2xxxiii59.6 (7)
O1xxi—O4—Mn1xxi96 (3)Mn2xxxii—Mn1—Mn2xv121.4 (8)
O1xxi—O4—Mn2xxxv49 (3)Mn2xxxii—Mn1—Mn2xxxiv59.6 (7)
O1xxi—O4—Mn2x49 (3)Mn2xxxii—Mn1—Mn2xvi178.9 (10)
O2—O4—O2xiii120 (3)Mn2xiv—Mn1—Mn2xxxiii178.9 (10)
O2—O4—O2i116 (3)Mn2xiv—Mn1—Mn2xv58.5 (7)
O2—O4—O2viii65 (3)Mn2xiv—Mn1—Mn2xxxiv121.4 (8)
O2—O4—O2xix52 (2)Mn2xiv—Mn1—Mn2xvi58.5 (7)
O2—O4—O3v169 (3)Mn2xxxiii—Mn1—Mn2xv120.5 (8)
O2—O4—O4viii88 (2)Mn2xxxiii—Mn1—Mn2xxxiv59.6 (7)
O2—O4—O4xviii65 (3)Mn2xxxiii—Mn1—Mn2xvi121.4 (9)
O2—O4—O4x54 (2)Mn2xv—Mn1—Mn2xxxiv178.9 (8)
O2—O4—O4xix91 (3)Mn2xv—Mn1—Mn2xvi58.5 (7)
O2—O4—Li1xiii147 (2)Mn2xxxiv—Mn1—Mn2xvi120.5 (8)
O2—O4—Li1i84 (2)O1xli—Mn2—O2xvii132 (4)
O2—O4—Mn2xxii93 (2)O1xli—Mn2—O2xlvi98 (5)
O2—O4—Mn2xxxv137 (3)O1xli—Mn2—O2x178 (5)
O2—O4—Mn2x94 (3)O1xli—Mn2—O3xl96 (4)
O2xiii—O4—O2i123 (4)O1xli—Mn2—O4xiii49 (3)
O2xiii—O4—O2viii54 (3)O1xli—Mn2—O4viii82 (4)
O2xiii—O4—O2xix170 (4)O1xli—Mn2—O4xxxix82 (4)
O2xiii—O4—O3v67 (3)O1xli—Mn2—Li1149 (3)
O2xiii—O4—O4viii58 (2)O1xli—Mn2—Li1xii77 (2)
O2xiii—O4—O4xviii90 (3)O1xli—Mn2—Li1xlvii74 (2)
O2xiii—O4—O4x118 (3)O1xli—Mn2—Mn1xl139 (3)
O2xiii—O4—O4xix124 (3)O1xli—Mn2—Mn1xli86 (3)
O2xiii—O4—Li187 (2)O1xli—Mn2—Mn2xliii139 (3)
O2xiii—O4—Li1i152 (3)O1xli—Mn2—Mn2iii96 (3)
O2xiii—O4—Mn1xxi139 (3)O2xvii—Mn2—O2xlvi51 (3)
O2xiii—O4—Mn2xxii94 (2)O2xvii—Mn2—O2x51 (3)
O2xiii—O4—Mn2xxxv97 (3)O2xvii—Mn2—O3xl53 (3)
O2i—O4—O2viii174 (4)O2xvii—Mn2—O4xiii179 (3)
O2i—O4—O2xix65 (3)O2xvii—Mn2—O4viii130 (4)
O2i—O4—O3v56 (3)O2xvii—Mn2—O4xxxix128 (4)
O2i—O4—O4viii116 (3)O2xvii—Mn2—Li179.6 (17)
O2i—O4—O4xviii123 (4)O2xvii—Mn2—Li1xii78.4 (15)
O2i—O4—O4x87 (3)O2xvii—Mn2—Li1xlvii81.3 (17)
O2i—O4—O4xix63 (3)O2xvii—Mn2—Mn1xli143 (2)
O2i—O4—Li1145 (3)O2xvii—Mn2—Mn2xxxvii145 (2)
O2i—O4—Li1xiii90 (2)O2xvii—Mn2—Mn2xlviii146 (2)
O2i—O4—Mn1xxi92 (3)O2xlvi—Mn2—O2x84 (4)
O2i—O4—Mn2xxii93 (3)O2xlvi—Mn2—O3xl86 (4)
O2i—O4—Mn2x140 (4)O2xlvi—Mn2—O4xiii130 (4)
O2viii—O4—O2xix117 (4)O2xlvi—Mn2—O4viii96 (4)
O2viii—O4—O3v121 (3)O2xlvi—Mn2—O4xxxix179 (6)
O2viii—O4—O4viii58 (2)O2xlvi—Mn2—Li1104 (3)
O2viii—O4—O4xviii63 (3)O2xlvi—Mn2—Li1xlvii107 (3)
O2viii—O4—O4x90 (3)O2xlvi—Mn2—Mn1xli138 (4)
O2viii—O4—O4xix123 (3)O2xlvi—Mn2—Mn2xliii86 (3)
O2viii—O4—Li1xiii86 (2)O2xlvi—Mn2—Mn2xxxvii139 (4)
O2viii—O4—Li1i147 (3)O2xlvi—Mn2—Mn2xlviii95 (3)
O2viii—O4—Mn1xxi93 (3)O2x—Mn2—O3xl86 (3)
O2viii—O4—Mn2xxii93 (2)O2x—Mn2—O4xiii129 (3)
O2viii—O4—Mn2xxxv141 (3)O2x—Mn2—O4viii96 (4)
O2xix—O4—O3v121 (3)O2x—Mn2—O4xxxix96 (4)
O2xix—O4—O4viii113 (3)O2x—Mn2—Li1xii104 (3)
O2xix—O4—O4xviii90 (3)O2x—Mn2—Li1xlvii107 (2)
O2xix—O4—O4x53 (2)O2x—Mn2—Mn1xli92 (3)
O2xix—O4—O4xix64 (3)O2x—Mn2—Mn2xxxvii137 (3)
O2xix—O4—Li184 (2)O2x—Mn2—Mn2xlviii137 (3)
O2xix—O4—Li1xiii151 (3)O2x—Mn2—Mn2iii86 (3)
O2xix—O4—Mn2xxii92 (2)O3xl—Mn2—O4xiii127 (3)
O2xix—O4—Mn2xxxv93 (3)O3xl—Mn2—O4viii178 (5)
O2xix—O4—Mn2x136 (4)O3xl—Mn2—O4xxxix93 (4)
O3v—O4—O4viii90 (3)O3xl—Mn2—Li1107 (2)
O3v—O4—O4xviii125 (3)O3xl—Mn2—Li1xii106 (2)
O3v—O4—O4x116 (3)O3xl—Mn2—Mn1xl88 (2)
O3v—O4—O4xix92 (3)O3xl—Mn2—Mn1xli136 (3)
O3v—O4—Li1148 (2)O3xl—Mn2—Mn2xxxvii92 (2)
O3v—O4—Li1i88 (2)O3xl—Mn2—Mn2xlviii137 (3)
O3v—O4—Mn1xxi141 (3)O4xiii—Mn2—O4viii51 (2)
O3v—O4—Mn2xxii95 (2)O4xiii—Mn2—O4xxxix51 (2)
O3v—O4—Mn2x96 (3)O4xiii—Mn2—Li1100.0 (14)
O4viii—O4—O4xviii121 (3)O4xiii—Mn2—Li1xii102.3 (16)
O4viii—O4—O4x60 (2)O4xiii—Mn2—Li1xlvii98.3 (15)
O4viii—O4—O4xix177 (3)O4xiii—Mn2—Mn1xl145.0 (19)
O4viii—O4—Li160.6 (16)O4xiii—Mn2—Mn2xliii143.8 (19)
O4viii—O4—Li1xiii61.8 (16)O4xiii—Mn2—Mn2iii145 (2)
O4viii—O4—Li1i112.0 (19)O4viii—Mn2—O4xxxix85 (4)
O4viii—O4—Mn1xxi128 (3)O4viii—Mn2—Li174 (2)
O4viii—O4—Mn2xxii147 (2)O4viii—Mn2—Li1xii75 (2)
O4viii—O4—Mn2xxxv134 (3)O4viii—Mn2—Li1xlvii149 (3)
O4viii—O4—Mn2x88 (3)O4viii—Mn2—Mn1xl94 (2)
O4xviii—O4—O4x119 (3)O4viii—Mn2—Mn2xliii138 (3)
O4xviii—O4—O4xix60 (3)O4viii—Mn2—Mn2xxxvii86 (2)
O4xviii—O4—Li170 (2)O4viii—Mn2—Mn2iii138 (3)
O4xviii—O4—Li1xiii118 (2)O4xxxix—Mn2—Li176 (2)
O4xviii—O4—Li1i115 (2)O4xxxix—Mn2—Li1xii153 (3)
O4xviii—O4—Mn1xxi50 (2)O4xxxix—Mn2—Li1xlvii72 (2)
O4xviii—O4—Mn2xxxv94 (3)O4xxxix—Mn2—Mn1xl138 (3)
O4xviii—O4—Mn2x47 (2)O4xxxix—Mn2—Mn2xliii93 (2)
O4x—O4—O4xix117 (3)O4xxxix—Mn2—Mn2xlviii86 (2)
O4x—O4—Li160.6 (17)O4xxxix—Mn2—Mn2iii136 (3)
O4x—O4—Li1xiii112.7 (19)Li1—Mn2—Li1xii113.9 (3)
O4x—O4—Li1i61.0 (17)Li1—Mn2—Li1xlvii118.9 (3)
O4x—O4—Mn1xxi81 (2)Li1—Mn2—Mn1xl63.4 (6)
O4x—O4—Mn2xxii142 (2)Li1—Mn2—Mn1xli63.0 (6)
O4x—O4—Mn2xxxv130 (3)Li1—Mn2—Mn2xliii65.4 (4)
O4x—O4—Mn2x133 (3)Li1—Mn2—Mn2xxxvii115.6 (6)
O4xix—O4—Li1118 (2)Li1—Mn2—Mn2xlviii113.4 (5)
O4xix—O4—Li1xiii120 (2)Li1—Mn2—Mn2iii114.8 (6)
O4xix—O4—Li1i65.8 (19)Li1xii—Mn2—Li1xlvii118.0 (3)
O4xix—O4—Mn1xxi50 (2)Li1xii—Mn2—Mn1xl63.0 (6)
O4xix—O4—Mn2xxxv47 (2)Li1xii—Mn2—Mn1xli117.4 (7)
O4xix—O4—Mn2x94 (3)Li1xii—Mn2—Mn2xliii113.9 (6)
Li1—O4—Li1xiii113.1 (11)Li1xii—Mn2—Mn2xxxvii117.9 (7)
Li1—O4—Li1i112.4 (12)Li1xii—Mn2—Mn2xlviii67.5 (5)
Li1—O4—Mn1xxi71.1 (16)Li1xii—Mn2—Mn2iii64.2 (5)
Li1—O4—Mn2xxii104.5 (12)Li1xlvii—Mn2—Mn1xl116.7 (7)
Li1—O4—Mn2xxxv163.8 (18)Li1xlvii—Mn2—Mn1xli114.0 (7)
Li1—O4—Mn2x73.7 (18)Li1xlvii—Mn2—Mn2xliii65.8 (4)
Li1xiii—O4—Li1i118.5 (11)Li1xlvii—Mn2—Mn2xxxvii63.4 (5)
Li1xiii—O4—Mn1xxi166.5 (16)Li1xlvii—Mn2—Mn2xlviii114.5 (5)
Li1xiii—O4—Mn2xxii105.5 (11)Li1xlvii—Mn2—Mn2iii65.8 (5)
Li1xiii—O4—Mn2xxxv76.4 (17)Mn1xl—Mn2—Mn1xli118.6 (10)
Li1xiii—O4—Mn2x72.9 (17)Mn1xl—Mn2—Mn2xliii60.2 (7)
Li1i—O4—Mn1xxi68.8 (16)Mn1xl—Mn2—Mn2xxxvii179.0 (10)
Li1i—O4—Mn2xxii100.6 (12)Mn1xl—Mn2—Mn2xlviii120.4 (9)
Li1i—O4—Mn2xxxv71.1 (18)Mn1xl—Mn2—Mn2iii60.2 (7)
Li1i—O4—Mn2x160.0 (19)Mn1xli—Mn2—Mn2xliii117.6 (9)
Mn1xxi—O4—Mn2xxii61.1 (16)Mn1xli—Mn2—Mn2xxxvii60.8 (7)
Mn1xxi—O4—Mn2xxxv97 (2)Mn1xli—Mn2—Mn2xlviii60.8 (7)
Mn1xxi—O4—Mn2x97 (2)Mn1xli—Mn2—Mn2iii177.6 (10)
Mn2xxii—O4—Mn2xxxv59.5 (18)Mn2xliii—Mn2—Mn2xxxvii119.4 (8)
Mn2xxii—O4—Mn2x59.5 (18)Mn2xliii—Mn2—Mn2xlviii178.4 (8)
Mn2xxxv—O4—Mn2x98 (2)Mn2xliii—Mn2—Mn2iii60.0 (6)
O1xxxvi—Li1—O1xxii91 (2)Mn2xxxvii—Mn2—Mn2xlviii60.0 (6)
O1xxxvi—Li1—O1xvii91 (2)Mn2xxxvii—Mn2—Mn2iii120.5 (9)
O1xxxvi—Li1—O2144 (4)Mn2xlviii—Mn2—Mn2iii121.6 (8)
Symmetry codes: (i) x+1/2, y, z+1/2; (ii) y, z+1/2, x+1/2; (iii) z+1/2, x+1/2, y; (iv) x1/2, y+3/2, z+1; (v) x+1, y1/2, z+3/2; (vi) x+3/2, y+1, z1/2; (vii) x+1/2, y+1/2, z+1; (viii) y, z, x; (ix) y+1/2, z+1, x+1/2; (x) z, x, y; (xi) z+1, x+1/2, y+1/2; (xii) x+1/2, y+1/2, z; (xiii) x, y+1/2, z+1/2; (xiv) x+1/2, y+1, z+1/2; (xv) y+1, z+1/2, x+1/2; (xvi) z+1/2, x+1/2, y+1; (xvii) x+1/2, y, z1/2; (xviii) y, z1/2, x+1/2; (xix) z+1/2, x, y+1/2; (xx) x1, y1, z1; (xxi) x1/2, y+1/2, z+1; (xxii) x, y1/2, z+1/2; (xxiii) z, x1/2, y+1/2; (xxiv) x+1/2, y+3/2, z+1; (xxv) x+1, y+1/2, z+3/2; (xxvi) x+3/2, y+1, z+1/2; (xxvii) x+1, y+1, z+1; (xxviii) y+1, z+1, x+1; (xxix) z+1, x+1, y+1; (xxx) y+1/2, z+3/2, x+1; (xxxi) z+3/2, x+1, y+1/2; (xxxii) x+1, y+1/2, z+1/2; (xxxiii) y+1/2, z+1/2, x+1; (xxxiv) z+1/2, x+1, y+1/2; (xxxv) y+1/2, z, x+1/2; (xxxvi) x1/2, y+1/2, z; (xxxvii) y1/2, z+1/2, x; (xxxviii) z+1/2, x, y1/2; (xxxix) z1/2, x+1/2, y; (xl) x+1, y1/2, z+1/2; (xli) x+1/2, y+1, z1/2; (xlii) x, y1/2, z1/2; (xliii) y+1/2, z, x1/2; (xliv) y1/2, z1/2, x; (xlv) z1/2, x, y1/2; (xlvi) y+1/2, z+1/2, x; (xlvii) x, y+1/2, z1/2; (xlviii) z, x+1/2, y+1/2.
 

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