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Materials Data on RbMnF4 by Materials Project

RbMnF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.23 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–F bond distances ranging from 1.86–2.20 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–F bond distances ranging from 1.86–2.23 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two Mn3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Mn3+ atoms.

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Materials Data on Rb2MnF5 by Materials Project

Rb2MnF5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (3.05 Å) and two longer (3.09 Å) Rb–F bond lengths. Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.90 Å) and two longer (2.11 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to four equivalent Rb1+ and one Mn3+ atom.

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Materials Data on Rb2MnF6 by Materials Project

Rb2MnF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with four equivalent MnF6 octahedra. All Rb–F bond lengths are 3.10 Å. Mn4+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share faces with eight equivalent RbF12 cuboctahedra. All Mn–F bond lengths are 1.85 Å. F1- is bonded in a single-bond geometry to four equivalent Rb1+ and one Mn4+ atom.

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Materials Data on RbMnF3 by Materials Project

RbMnF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent MnF6 octahedra. All Rb–F bond lengths are 3.05 Å. Mn2+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–F bond lengths are 2.16 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mn2+ atoms.

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Materials Data on Rb2MnF4 by Materials Project

Rb2MnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.81–3.06 Å. Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–F bond lengths are 2.16 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded to five equivalent Rb1+ and one Mn2+ atom to form a mixture of distorted edge and corner-sharing FRb5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–3°.

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Materials Data on Rb3MnF7 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

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