research papers
A hydroxyl-dominant analogue of gadolinite-(Y) (OH-Gad) has been discovered in the Heftetjern granitic pegmatite, southern Norway, in association with late-stage rare-earth-element containing minerals. The empirical formula, based on ten O atoms per formula unit, is (Y1.285Ca0.55Ce0.07La0.04Nd0.01)Σ1.955(Fe2+0.57□0.43)Be2.02Si1.995O8.48(OH)1.52. The mineral is monoclinic, space group P21/c, a = 4.7514 (10), b = 7.5719 (16), c = 9.9414 (2) Å, β = 90.015 (4)°, V = 357.663 (3) Å3 and Z = 2. The density calculated using the empirical formula is 3.903 g cm−3. The crystal structure was refined to R = 0.0217 for 776 reflections with I > 2σ(I). OH-Gad is isostructural with gadolinite-(Y) and it is characterized by the predominance of OH− over O2− at the anionic Ø-site. The refined crystal-chemical formula is: A(Y1.25Ca0.55Ce0.2)X(Fe2+0.57□0.43)ZBe2TSi2O8Ø[(OH)0.86O0.59(OH)*0.55] (Z = 2). The possible orientation and local environment of the hydroxyl group were suggested based on bond-valence sum calculations and geometrical analysis of the crystal structure. The infrared spectrum confirms disordering of H atoms. OH-Gad seems to be a potentially new mineral, the first simultaneously hydroxyl- and iron-dominant member of the gadolinite subgroup. It is an OH-analogue of gadolinite-(Y) and an Fe2+-analogue of hingganite-(Y).
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520617006588/bp5096sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520617006588/bp5096Isup2.hkl | |
Portable Document Format (PDF) file https://doi.org/10.1107/S2052520617006588/bp5096sup3.pdf |
CCDC reference: 1547407
Computing details top
(I) top
Crystal data top
Be2Ca0.55Ce0.2Fe0.57O10Si2Y1.25 | F(000) = 404 |
Mr = 427.2 | Dx = 3.967 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -P 2ycb | Cell parameters from 5335 reflections |
a = 4.7514 (10) Å | θ = 3.4–32.6° |
b = 7.5719 (16) Å | µ = 13.28 mm−1 |
c = 9.9414 (2) Å | T = 120 K |
β = 90.015 (4)° | Anhedral grain |
V = 357.66 Å3 | 0.16 × 0.15 × 0.12 mm |
Z = 2 |
Data collection top
Bruker Smart Apex 2 diffractometer | Rint = 0.04 |
Radiation source: X-ray tube | θmax = 32.6°, θmin = 3.4° |
5335 measured reflections | h = −6→6 |
841 independent reflections | k = −10→10 |
776 reflections with I > 2σ(I) | l = −14→14 |
Refinement top
Refinement on F | 38 constraints |
R[F2 > 2σ(F2)] = 0.022 | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.000289F2) |
wR(F2) = 0.028 | (Δ/σ)max = 0.043 |
S = 0.98 | Δρmax = 0.49 e Å−3 |
841 reflections | Δρmin = −0.60 e Å−3 |
90 parameters | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
0 restraints | Extinction coefficient: 230 (110) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Y_a | 0.00066 (17) | 0.89222 (10) | 0.16974 (7) | 0.00668 (10) | 0.625 |
Fe_x | 0 | 0.5 | 0 | 0.0102 (3) | 0.57 |
Si_t | 0.51934 (16) | 1.22271 (10) | 0.07879 (7) | 0.0093 (2) | |
O1 | 0.2388 (5) | 0.9118 (3) | −0.0311 (2) | 0.0130 (6) | |
O5 | −0.2083 (5) | 1.0882 (3) | 0.3310 (2) | 0.0147 (6) | |
O2 | 0.3057 (5) | 1.1536 (3) | 0.1954 (2) | 0.0131 (5) | |
O3 | 0.3152 (5) | 0.8938 (2) | 0.3561 (2) | 0.0130 (6) | |
O4 | −0.3261 (4) | 0.7140 (3) | 0.0491 (2) | 0.0118 (5) | |
Be_z | −0.5446 (8) | 1.0866 (4) | 0.3356 (3) | 0.0068 (8) | |
Ca_a | 0.00066 (17) | 0.89222 (10) | 0.16974 (7) | 0.00668 (10) | 0.275 |
Ce_a | 0.00066 (17) | 0.89222 (10) | 0.16974 (7) | 0.00668 (10) | 0.1 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Y_a | 0.00517 (16) | 0.00833 (17) | 0.00656 (16) | −0.00034 (8) | −0.00062 (9) | −0.00083 (8) |
Fe_x | 0.0072 (4) | 0.0152 (5) | 0.0082 (4) | −0.0003 (3) | 0.0002 (3) | −0.0023 (3) |
Si_t | 0.0080 (4) | 0.0105 (3) | 0.0095 (4) | 0.0000 (3) | 0.0007 (3) | 0.0007 (2) |
O1 | 0.0091 (10) | 0.0144 (10) | 0.0154 (10) | 0.0037 (7) | 0.0009 (8) | −0.0012 (7) |
O5 | 0.0097 (10) | 0.0200 (10) | 0.0146 (10) | 0.0002 (8) | 0.0017 (8) | −0.0001 (8) |
O2 | 0.0103 (10) | 0.0183 (10) | 0.0106 (9) | −0.0027 (8) | 0.0015 (7) | 0.0017 (8) |
O3 | 0.0137 (10) | 0.0101 (9) | 0.0152 (10) | 0.0023 (7) | −0.0024 (8) | 0.0011 (7) |
O4 | 0.0123 (10) | 0.0128 (9) | 0.0104 (9) | −0.0013 (7) | −0.0017 (8) | 0.0034 (7) |
Be_z | 0.0060 (14) | 0.0070 (14) | 0.0074 (15) | −0.0019 (10) | 0.0010 (11) | 0.0006 (10) |
Ca_a | 0.00517 (16) | 0.00833 (17) | 0.00656 (16) | −0.00034 (8) | −0.00062 (9) | −0.00083 (8) |
Ce_a | 0.00517 (16) | 0.00833 (17) | 0.00656 (16) | −0.00034 (8) | −0.00062 (9) | −0.00083 (8) |
Geometric parameters (Å, º) top
Y_a—Y_ai | 3.7489 (10) | O1—Ce_ai | 2.322 (2) |
Y_a—O1 | 2.300 (2) | O5—Be_z | 1.599 (4) |
Y_a—O1i | 2.322 (2) | O5—Ca_a | 2.400 (2) |
Y_a—O5 | 2.400 (2) | O5—Ce_a | 2.400 (2) |
Y_a—O3 | 2.381 (3) | O5—Ce_avi | 2.504 (2) |
Y_a—O4 | 2.381 (2) | O2—Be_zvii | 1.645 (4) |
Y_a—Ca_a | 0 | O2—Ce_a | 2.466 (2) |
Y_a—Ca_ai | 3.7489 (10) | O3—Be_zvii | 1.618 (4) |
Y_a—Ce_a | 0 | O3—Ca_a | 2.381 (3) |
Y_a—Ce_ai | 3.7489 (10) | O3—Ce_a | 2.381 (3) |
Fe_x—O5ii | 2.061 (2) | O4—Be_zviii | 1.619 (4) |
Fe_x—O5iii | 2.061 (2) | O4—Ca_a | 2.381 (2) |
Fe_x—Ca_aii | 3.3831 (7) | O4—Ce_a | 2.381 (2) |
Fe_x—Ca_aiii | 3.3831 (7) | Be_z—Ca_aix | 3.091 (4) |
Si_t—O1iv | 1.607 (2) | Be_z—Ca_ax | 3.171 (4) |
Si_t—O2 | 1.628 (2) | Ca_a—Ca_aii | 4.1085 (10) |
Si_t—O3v | 1.648 (2) | Ca_a—Ca_avi | 4.1085 (10) |
Si_t—O4i | 1.640 (2) | Ca_a—Ca_ai | 3.7489 (10) |
O1—Ca_a | 2.300 (2) | Ca_a—Ce_a | 0 |
O1—Ca_ai | 2.322 (2) | Ca_a—Ce_ai | 3.7489 (10) |
O1—Ce_a | 2.300 (2) | Ce_a—Ce_ai | 3.7489 (10) |
Y_ai—Y_a—O1 | 36.01 (6) | Y_ai—Ca_a—Be_zvii | 105.90 (7) |
Y_ai—Y_a—O1i | 35.61 (6) | Y_ai—Ca_a—Be_zviii | 107.55 (7) |
Y_ai—Y_a—O5 | 109.36 (6) | Y_ai—Ca_a—Ca_aii | 138.66 (2) |
Y_ai—Y_a—O3 | 134.39 (6) | Y_ai—Ca_a—Ca_avi | 87.05 (2) |
Y_ai—Y_a—O4 | 78.01 (5) | Y_ai—Ca_a—Ca_ai | 0.0 (5) |
Y_ai—Y_a—Ca_a | 0 | Y_ai—Ca_a—Ce_a | 0 |
Y_ai—Y_a—Ca_ai | 0.0 (5) | Y_ai—Ca_a—Ce_ai | 0.0 (5) |
Y_ai—Y_a—Ce_a | 0 | Fe_xvi—Ca_a—O1 | 145.84 (6) |
Y_ai—Y_a—Ce_ai | 0.0 (5) | Fe_xvi—Ca_a—O1i | 114.91 (6) |
O1—Y_a—O1i | 71.61 (8) | Fe_xvi—Ca_a—O5 | 37.07 (6) |
O1—Y_a—O5 | 138.04 (8) | Fe_xvi—Ca_a—O3 | 40.89 (6) |
O1—Y_a—O3 | 111.51 (9) | Fe_xvi—Ca_a—O4 | 128.68 (6) |
O1—Y_a—O4 | 85.41 (8) | Fe_xvi—Ca_a—Be_zvii | 50.81 (7) |
O1—Y_a—Ca_a | 0 | Fe_xvi—Ca_a—Be_zviii | 101.05 (6) |
O1—Y_a—Ca_ai | 36.01 (6) | Fe_xvi—Ca_a—Ca_aii | 81.104 (18) |
O1—Y_a—Ce_a | 0 | Fe_xvi—Ca_a—Ca_avi | 53.186 (14) |
O1—Y_a—Ce_ai | 36.01 (6) | Fe_xvi—Ca_a—Ca_ai | 140.23 (2) |
O1i—Y_a—O5 | 78.38 (8) | Fe_xvi—Ca_a—Ce_a | 0 |
O1i—Y_a—O3 | 140.00 (8) | Fe_xvi—Ca_a—Ce_ai | 140.23 (2) |
O1i—Y_a—O4 | 75.16 (8) | O1—Ca_a—O1i | 71.61 (8) |
O1i—Y_a—Ca_a | 0 | O1—Ca_a—O5 | 138.04 (8) |
O1i—Y_a—Ca_ai | 35.61 (6) | O1—Ca_a—O3 | 111.51 (9) |
O1i—Y_a—Ce_a | 0 | O1—Ca_a—O4 | 85.41 (8) |
O1i—Y_a—Ce_ai | 35.61 (6) | O1—Ca_a—Be_zvii | 95.08 (9) |
O5—Y_a—O3 | 74.73 (8) | O1—Ca_a—Be_zviii | 111.64 (9) |
O5—Y_a—O4 | 114.66 (8) | O1—Ca_a—Ca_aii | 113.42 (6) |
O5—Y_a—Ca_a | 0 | O1—Ca_a—Ca_avi | 106.17 (6) |
O5—Y_a—Ca_ai | 109.36 (6) | O1—Ca_a—Ca_ai | 36.01 (6) |
O5—Y_a—Ce_a | 0 | O1—Ca_a—Ce_a | 0 |
O5—Y_a—Ce_ai | 109.36 (6) | O1—Ca_a—Ce_ai | 36.01 (6) |
O3—Y_a—O4 | 143.53 (8) | O1i—Ca_a—O5 | 78.38 (8) |
O3—Y_a—Ca_a | 0 | O1i—Ca_a—O3 | 140.00 (8) |
O3—Y_a—Ca_ai | 134.39 (6) | O1i—Ca_a—O4 | 75.16 (8) |
O3—Y_a—Ce_a | 0 | O1i—Ca_a—Be_zvii | 110.77 (9) |
O3—Y_a—Ce_ai | 134.39 (6) | O1i—Ca_a—Be_zviii | 96.98 (9) |
O4—Y_a—Ca_a | 0 | O1i—Ca_a—Ca_aii | 144.92 (6) |
O4—Y_a—Ca_ai | 78.01 (5) | O1i—Ca_a—Ca_avi | 68.96 (6) |
O4—Y_a—Ce_a | 0 | O1i—Ca_a—Ca_ai | 35.61 (6) |
O4—Y_a—Ce_ai | 78.01 (5) | O1i—Ca_a—Ce_a | 0 |
Ca_a—Y_a—Ca_ai | 0 | O1i—Ca_a—Ce_ai | 35.61 (6) |
Ca_a—Y_a—Ce_a | 0 | O5—Ca_a—O3 | 74.73 (8) |
Ca_a—Y_a—Ce_ai | 0 | O5—Ca_a—O4 | 114.66 (8) |
Ca_ai—Y_a—Ce_a | 0 | O5—Ca_a—Be_zvii | 68.80 (9) |
Ca_ai—Y_a—Ce_ai | 0.0 (5) | O5—Ca_a—Be_zviii | 100.36 (9) |
Ce_a—Y_a—Ce_ai | 0 | O5—Ca_a—Ca_aii | 108.05 (6) |
O5ii—Fe_x—O5iii | 180.0 (5) | O5—Ca_a—Ca_avi | 33.90 (6) |
O5ii—Fe_x—Ca_aii | 44.57 (6) | O5—Ca_a—Ca_ai | 109.36 (6) |
O5ii—Fe_x—Ca_aiii | 135.43 (6) | O5—Ca_a—Ce_a | 0 |
O5iii—Fe_x—Ca_aii | 135.43 (6) | O5—Ca_a—Ce_ai | 109.36 (6) |
O5iii—Fe_x—Ca_aiii | 44.57 (6) | O3—Ca_a—O4 | 143.53 (8) |
Ca_aii—Fe_x—Ca_aiii | 180.0 (5) | O3—Ca_a—Be_zvii | 31.08 (8) |
O1iv—Si_t—O2 | 116.88 (12) | O3—Ca_a—Be_zviii | 116.47 (8) |
O1iv—Si_t—O3v | 105.84 (12) | O3—Ca_a—Ca_aii | 72.74 (5) |
O1iv—Si_t—O4i | 110.94 (12) | O3—Ca_a—Ca_avi | 72.18 (5) |
O2—Si_t—O3v | 105.71 (12) | O3—Ca_a—Ca_ai | 134.39 (6) |
O2—Si_t—O4i | 107.28 (12) | O3—Ca_a—Ce_a | 0 |
O3v—Si_t—O4i | 109.97 (11) | O3—Ca_a—Ce_ai | 134.39 (6) |
Y_a—O1—Y_ai | 108.39 (9) | O4—Ca_a—Be_zvii | 173.91 (9) |
Y_a—O1—Si_tiv | 124.52 (12) | O4—Ca_a—Be_zviii | 29.82 (8) |
Y_a—O1—Ca_a | 0.0 (5) | O4—Ca_a—Ca_aii | 70.87 (5) |
Y_a—O1—Ca_ai | 108.39 (9) | O4—Ca_a—Ca_avi | 135.80 (6) |
Y_a—O1—Ce_a | 0.0 (5) | O4—Ca_a—Ca_ai | 78.01 (5) |
Y_a—O1—Ce_ai | 108.39 (9) | O4—Ca_a—Ce_a | 0 |
Y_ai—O1—Si_tiv | 125.47 (13) | O4—Ca_a—Ce_ai | 78.01 (5) |
Y_ai—O1—Ca_a | 108.39 (9) | Be_zvii—Ca_a—Be_zviii | 146.53 (9) |
Y_ai—O1—Ca_ai | 0.0 (5) | Be_zvii—Ca_a—Ca_aii | 103.46 (7) |
Y_ai—O1—Ce_a | 108.39 (9) | Be_zvii—Ca_a—Ca_avi | 49.84 (7) |
Y_ai—O1—Ce_ai | 0.0 (5) | Be_zvii—Ca_a—Ca_ai | 105.90 (7) |
Si_tiv—O1—Ca_a | 124.52 (12) | Be_zvii—Ca_a—Ce_a | 0 |
Si_tiv—O1—Ca_ai | 125.47 (13) | Be_zvii—Ca_a—Ce_ai | 105.90 (7) |
Si_tiv—O1—Ce_a | 124.52 (12) | Be_zviii—Ca_a—Ca_aii | 48.16 (6) |
Si_tiv—O1—Ce_ai | 125.47 (13) | Be_zviii—Ca_a—Ca_avi | 132.69 (7) |
Ca_a—O1—Ca_ai | 108.39 (9) | Be_zviii—Ca_a—Ca_ai | 107.55 (7) |
Ca_a—O1—Ce_a | 0.0 (5) | Be_zviii—Ca_a—Ce_a | 0 |
Ca_a—O1—Ce_ai | 108.39 (9) | Be_zviii—Ca_a—Ce_ai | 107.55 (7) |
Ca_ai—O1—Ce_a | 108.39 (9) | Ca_aii—Ca_a—Ca_avi | 134.29 (2) |
Ca_ai—O1—Ce_ai | 0.0 (5) | Ca_aii—Ca_a—Ca_ai | 138.66 (2) |
Ce_a—O1—Ce_ai | 108.39 (9) | Ca_aii—Ca_a—Ce_a | 0 |
Y_a—O5—Fe_xvi | 98.36 (9) | Ca_aii—Ca_a—Ce_ai | 138.66 (2) |
Y_a—O5—Be_z | 115.34 (17) | Ca_avi—Ca_a—Ca_ai | 87.05 (2) |
Y_a—O5—Ca_a | 0.0 (5) | Ca_avi—Ca_a—Ce_a | 0 |
Y_a—O5—Ce_a | 0.0 (5) | Ca_avi—Ca_a—Ce_ai | 87.05 (2) |
Y_a—O5—Ce_avi | 113.80 (10) | Ca_ai—Ca_a—Ce_a | 0 |
Fe_xvi—O5—Be_z | 117.01 (18) | Ca_ai—Ca_a—Ce_ai | 0.0 (5) |
Fe_xvi—O5—Ca_a | 98.36 (9) | Ce_a—Ca_a—Ce_ai | 0 |
Fe_xvi—O5—Ce_a | 98.36 (9) | Y_a—Ce_a—Y_ai | 0 |
Fe_xvi—O5—Ce_avi | 96.38 (9) | Y_a—Ce_a—O1 | 0 |
Be_z—O5—Ca_a | 115.34 (17) | Y_a—Ce_a—O1i | 0 |
Be_z—O5—Ce_a | 115.34 (17) | Y_a—Ce_a—O5 | 0 |
Be_z—O5—Ce_avi | 113.63 (16) | Y_a—Ce_a—O5ii | 0 |
Ca_a—O5—Ce_a | 0.0 (5) | Y_a—Ce_a—O2 | 0 |
Ca_a—O5—Ce_avi | 113.80 (10) | Y_a—Ce_a—O3 | 0 |
Ce_a—O5—Ce_avi | 113.80 (10) | Y_a—Ce_a—O4 | 0 |
Si_t—O2—Be_zvii | 115.65 (19) | Y_a—Ce_a—Ca_a | 0 |
Si_t—O2—Ce_a | 123.44 (12) | Y_a—Ce_a—Ca_ai | 0 |
Be_zvii—O2—Ce_a | 95.43 (16) | Y_a—Ce_a—Ce_ai | 0 |
Y_a—O3—Si_txi | 126.95 (11) | Y_ai—Ce_a—O1 | 36.01 (6) |
Y_a—O3—Be_zvii | 99.47 (16) | Y_ai—Ce_a—O1i | 35.61 (6) |
Y_a—O3—Ca_a | 0.0 (5) | Y_ai—Ce_a—O5 | 109.36 (6) |
Y_a—O3—Ce_a | 0.0 (5) | Y_ai—Ce_a—O5ii | 113.47 (6) |
Si_txi—O3—Be_zvii | 124.3 (2) | Y_ai—Ce_a—O2 | 75.21 (5) |
Si_txi—O3—Ca_a | 126.95 (11) | Y_ai—Ce_a—O3 | 134.39 (6) |
Si_txi—O3—Ce_a | 126.95 (11) | Y_ai—Ce_a—O4 | 78.01 (5) |
Be_zvii—O3—Ca_a | 99.47 (16) | Y_ai—Ce_a—Ca_a | 0 |
Be_zvii—O3—Ce_a | 99.47 (16) | Y_ai—Ce_a—Ca_ai | 0.0 (5) |
Ca_a—O3—Ce_a | 0.0 (5) | Y_ai—Ce_a—Ce_ai | 0.0 (5) |
Y_a—O4—Si_ti | 126.14 (11) | O1—Ce_a—O1i | 71.61 (8) |
Y_a—O4—Be_zviii | 103.19 (16) | O1—Ce_a—O5 | 138.04 (8) |
Y_a—O4—Ca_a | 0.0 (5) | O1—Ce_a—O5ii | 82.13 (8) |
Y_a—O4—Ce_a | 0.0 (5) | O1—Ce_a—O2 | 75.46 (8) |
Si_ti—O4—Be_zviii | 120.71 (18) | O1—Ce_a—O3 | 111.51 (9) |
Si_ti—O4—Ca_a | 126.14 (11) | O1—Ce_a—O4 | 85.41 (8) |
Si_ti—O4—Ce_a | 126.14 (11) | O1—Ce_a—Ca_a | 0 |
Be_zviii—O4—Ca_a | 103.19 (16) | O1—Ce_a—Ca_ai | 36.01 (6) |
Be_zviii—O4—Ce_a | 103.19 (16) | O1—Ce_a—Ce_ai | 36.01 (6) |
Ca_a—O4—Ce_a | 0.0 (5) | O1i—Ce_a—O5 | 78.38 (8) |
O5—Be_z—O2ix | 113.9 (2) | O1i—Ce_a—O5ii | 141.11 (8) |
O5—Be_z—O3ix | 115.0 (2) | O1i—Ce_a—O2 | 80.60 (8) |
O5—Be_z—O4x | 113.3 (2) | O1i—Ce_a—O3 | 140.00 (8) |
O5—Be_z—Ca_aix | 133.40 (19) | O1i—Ce_a—O4 | 75.16 (8) |
O5—Be_z—Ca_ax | 132.62 (18) | O1i—Ce_a—Ca_a | 0 |
O2ix—Be_z—O3ix | 102.0 (2) | O1i—Ce_a—Ca_ai | 35.61 (6) |
O2ix—Be_z—O4x | 104.6 (2) | O1i—Ce_a—Ce_ai | 35.61 (6) |
O2ix—Be_z—Ca_aix | 52.59 (13) | O5—Ce_a—O5ii | 137.17 (8) |
O2ix—Be_z—Ca_ax | 57.68 (13) | O5—Ce_a—O2 | 71.20 (8) |
O3ix—Be_z—O4x | 107.0 (2) | O5—Ce_a—O3 | 74.73 (8) |
O3ix—Be_z—Ca_aix | 49.45 (13) | O5—Ce_a—O4 | 114.66 (8) |
O3ix—Be_z—Ca_ax | 112.31 (19) | O5—Ce_a—Ca_a | 0 |
O4x—Be_z—Ca_aix | 113.34 (19) | O5—Ce_a—Ca_ai | 109.36 (6) |
O4x—Be_z—Ca_ax | 46.99 (12) | O5—Ce_a—Ce_ai | 109.36 (6) |
Ca_aix—Be_z—Ca_ax | 82.01 (9) | O5ii—Ce_a—O2 | 120.42 (8) |
Y_a—Ca_a—Y_ai | 0 | O5ii—Ce_a—O3 | 76.09 (7) |
Y_a—Ca_a—Fe_xvi | 0 | O5ii—Ce_a—O4 | 74.60 (8) |
Y_a—Ca_a—O1 | 0 | O5ii—Ce_a—Ca_a | 0 |
Y_a—Ca_a—O1i | 0 | O5ii—Ce_a—Ca_ai | 113.47 (6) |
Y_a—Ca_a—O5 | 0 | O5ii—Ce_a—Ce_ai | 113.47 (6) |
Y_a—Ca_a—O3 | 0 | O2—Ce_a—O3 | 63.03 (7) |
Y_a—Ca_a—O4 | 0 | O2—Ce_a—O4 | 152.88 (8) |
Y_a—Ca_a—Be_zvii | 0 | O2—Ce_a—Ca_a | 0 |
Y_a—Ca_a—Be_zviii | 0 | O2—Ce_a—Ca_ai | 75.21 (5) |
Y_a—Ca_a—Ca_aii | 0 | O2—Ce_a—Ce_ai | 75.21 (5) |
Y_a—Ca_a—Ca_avi | 0 | O3—Ce_a—O4 | 143.53 (8) |
Y_a—Ca_a—Ca_ai | 0 | O3—Ce_a—Ca_a | 0 |
Y_a—Ca_a—Ce_a | 0 | O3—Ce_a—Ca_ai | 134.39 (6) |
Y_a—Ca_a—Ce_ai | 0 | O3—Ce_a—Ce_ai | 134.39 (6) |
Y_ai—Ca_a—Fe_xvi | 140.23 (2) | O4—Ce_a—Ca_a | 0 |
Y_ai—Ca_a—O1 | 36.01 (6) | O4—Ce_a—Ca_ai | 78.01 (5) |
Y_ai—Ca_a—O1i | 35.61 (6) | O4—Ce_a—Ce_ai | 78.01 (5) |
Y_ai—Ca_a—O5 | 109.36 (6) | Ca_a—Ce_a—Ca_ai | 0 |
Y_ai—Ca_a—O3 | 134.39 (6) | Ca_a—Ce_a—Ce_ai | 0 |
Y_ai—Ca_a—O4 | 78.01 (5) | Ca_ai—Ce_a—Ce_ai | 0.0 (5) |
Symmetry codes: (i) −x, −y+2, −z; (ii) −x, y−1/2, −z+1/2; (iii) x, −y+3/2, z−1/2; (iv) −x+1, −y+2, −z; (v) −x+1, y+1/2, −z+1/2; (vi) −x, y+1/2, −z+1/2; (vii) x+1, y, z; (viii) −x−1, y−1/2, −z+1/2; (ix) x−1, y, z; (x) −x−1, y+1/2, −z+1/2; (xi) −x+1, y−1/2, −z+1/2. |