Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials' volume of publication is 81

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2023425 CIFCa H2 O6 Sn2A e a 25.8502; 15.1396; 5.4376
90; 90; 90
481.61Bogdan, Tatiana V.; Ivakin, Yurii D.; Chernyshev, Vladimir V.; Mashchenko, Nikolay V.; Koklin, Aleksey E.; Tararushkin, Evgeny V.; Fedoseev, Timofei V.; Skiba, Mariia A.; Bogdan, Viktor I.
A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2025, 81
2023426 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.72432; 8.72432; 8.72432
90; 90; 90
664.041Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023427 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.72726; 8.72726; 8.72726
90; 90; 90
664.712Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023428 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.72976; 8.72976; 8.72976
90; 90; 90
665.284Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023429 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.73232; 8.73232; 8.73232
90; 90; 90
665.869Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023430 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.73626; 8.73626; 8.73626
90; 90; 90
666.771Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023431 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.73747; 8.73747; 8.73747
90; 90; 90
667.048Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023432 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.7365; 8.7365; 8.7365
90; 90; 90
666.826Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023433 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.73916; 8.73916; 8.73916
90; 90; 90
667.435Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023434 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74145; 8.74145; 8.74145
90; 90; 90
667.96Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023435 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74034; 8.74034; 8.74034
90; 90; 90
667.706Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023436 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74112; 8.74112; 8.74112
90; 90; 90
667.884Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023437 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74364; 8.74364; 8.74364
90; 90; 90
668.462Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023438 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74259; 8.74259; 8.74259
90; 90; 90
668.221Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023439 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74393; 8.74393; 8.74393
90; 90; 90
668.529Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023440 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74648; 8.74648; 8.74648
90; 90; 90
669.114Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023441 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.74867; 8.74867; 8.74867
90; 90; 90
669.616Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023442 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.75212; 8.75212; 8.75212
90; 90; 90
670.409Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2023443 CIF
HKL
Paper
Ga5.1 Ge0.9 Mn0.72 Sm2F m -3 m8.75451; 8.75451; 8.75451
90; 90; 90
670.958Khalaniya, Roman A.; Mironov, Andrei V.; Kulchu, Aleksandr; Khrykina, Olga; Shevelkov, Andrei V.
Disorder- and magnetism-driven structural changes in Sm<sub>2</sub>Mn<sub>1-x</sub>Ga<sub>6-y</sub>Ge<sub>y</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 235-243
2312737 CIF
HKL
Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55P n a 2112.9901; 16.2647; 5.2158
90; 90; 90
1101.99Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.
A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>].
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312749 CIF
Paper
Fe0.13 Li0.13 Mg0.73 O3 SiP b c a18.1735; 8.77666; 5.19316
90; 90; 90
828.32Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312750 CIFFe0.14 Li0.14 Mg0.71 O3 SiP b c a18.1654; 8.773; 5.1958
90; 90; 90
828.03Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312751 CIFFe0.16 Li0.16 Mg0.69 O3 SiP b c a18.1718; 8.7706; 5.1992
90; 90; 90
828.64Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312752 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2232; 8.704; 5.3107
90; 90; 90
426.336Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312753 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2255; 8.7052; 5.3106
90; 90; 90
426.493Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312765 CIF
Paper
C12 H8 Cl5 N OP -17.3317; 8.9118; 11.8169
69.929; 84.854; 76.227
704.33Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312766 CIF
Paper
C18 H16 N2 O8C 1 2/c 123.9983; 6.7578; 11.4431
90; 116.034; 90
1667.5Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312767 CIF
Paper
C15 H16 N4 O5C 1 2/c 137.809; 5.2412; 16.254
90; 108.433; 90
3055.7Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312768 CIF
Paper
C12 H11 Cl2 N3 O3P -16.3868; 6.9694; 15.2424
92.0313; 93.0261; 103.601
657.73Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312769 CIF
Paper
C20 H30 N8 O4P 21 21 216.9874; 13.8458; 21.4834
90; 90; 90
2078.44Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312770 CIF
Paper
C22 H16 N6 O10P b c n14.9666; 7.0415; 21.835
90; 90; 90
2301.1Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312771 CIF
Paper
C34 H22 N4 O8P -17.0595; 7.2153; 13.9211
91.067; 102.473; 106
663.22Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312772 CIF
Paper
C29 H26 N2 O10C 1 2/c 122.9392; 4.7809; 24.1632
90; 96.542; 90
2632.7Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312773 CIF
Paper
C32 H30 N2 O4C 1 c 121.952; 7.3477; 17
90; 104.61; 90
2653.38Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312792 CIF
HKL
Paper
C15 H9 F3 N2 OP -18.0695; 8.9083; 19.4438
95.82; 96.025; 110.173
1290.48Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312793 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 14.7186; 9.5567; 28.036
90; 93.525; 90
1261.87Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312794 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 118.77; 19.92; 7.226
90; 90.72; 90
2702Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312795 CIF
HKL
C15 H9 F3 N2 OP -19.5134; 11.4082; 12.2991
91.435; 90.336; 94.786
1329.7Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312796 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 17.746; 19.804; 9.126
90; 108.55; 90
1327.2Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312797 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 14.934; 18.064; 14.446
90; 96.061; 90
1280.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312798 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 14.9872; 34.236; 7.7939
90; 106.747; 90
1274.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312799 CIF
HKL
C15 H9 F3 N2 OP -111.0877; 13.1614; 14.1078
77.631; 74.266; 79.294
1917.68Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312800 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 111.7628; 12.5764; 8.6239
90; 93.019; 90
1273.99Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312801 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 110.804; 13.3892; 18.8504
90; 104.148; 90
2644.1Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312812 CIFCa Cs4 O19 Si8P 1 21/n 17.167; 12.0884; 12.4019
90; 90.044; 90
1074.47Kahlenberg, Volker
Cs<sub>4</sub>Ca[Si<sub>8</sub>O<sub>19</sub>]: a new mixed tetrahedral-octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312834 CIFC8 H14 Fe O12P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312835 CIFC8 H14 Fe O12P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312836 CIFC4 H7 Fe0.5 O6P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312837 CIFC4 H7 Fe0.5 O6P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312838 CIFC8 H14 Fe O12P -15.20542; 7.32708; 9.24798
108.873; 105.572; 92.2943
318.38Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81

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