cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1193811
title: Materials Data on Na4FeO3 by Materials Project

description: Na4FeO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.23 Å) and two longer (2.31 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.31–2.66 Å. In the third Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.37–2.62 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.32–2.44 Å. Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 1.91–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Fe2+ atom. In the second O2- site, O2- is bonded to five Na1+ and one Fe2+ atom to form corner-sharing ONa5Fe octahedra. The corner-sharing octahedral tilt angles are 62°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Fe2+ atom.
DOI: 10.17188/1193812
title: Materials Data on Na5CoSO2 by Materials Project

description: Na5CoSO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a linear geometry to four equivalent S2- and two equivalent O2- atoms. All Na–S bond lengths are 3.26 Å. Both Na–O bond lengths are 2.28 Å. In the second Na1+ site, Na1+ is bonded in a distorted linear geometry to two equivalent S2- and two equivalent O2- atoms. Both Na–S bond lengths are 3.05 Å. Both Na–O bond lengths are 2.33 Å. Co1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.77 Å. S2- is bonded to twelve Na1+ atoms to form SNa12 cuboctahedra that share corners with four equivalent SNa12 cuboctahedra, faces with four equivalent SNa12 cuboctahedra, and faces with eight equivalent ONa5Co octahedra. O2- is bonded to five Na1+ and one Co1+ atom to form ONa5Co octahedra that share corners with six equivalent ONa5Co octahedra and faces with four equivalent SNa12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°.
DOI: 10.17188/1193813
title: Materials Data on Na3Fe(PO4)2 by Materials Project

description: Na3Fe(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.87 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–3.06 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 2.01–2.11 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 28–51°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Na1+, one Fe3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Fe3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Fe3+, and one P5+ atom.
DOI: 10.17188/1193814
title: Materials Data on RbCr4O8 by Materials Project

description: RbCr4O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.01 Å. There are four inequivalent Cr+3.75+ sites. In the first Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Cr–O bond distances ranging from 1.89–2.02 Å. In the second Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Cr–O bond distances ranging from 1.90–2.01 Å. In the third Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Cr–O bond distances ranging from 1.89–2.01 Å. In the fourth Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Cr–O bond distances ranging from 1.96–2.01 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms.
DOI: 10.17188/1193815
title: Materials Data on BaAl4 by Materials Project

description: BaAl4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.51 Å) and eight longer (3.65 Å) Ba–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Al atoms. All Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Ba and five Al atoms. The Al–Al bond length is 2.70 Å.
DOI: 10.17188/1193816
title: Materials Data on La4V5(Si2O11)2 by Materials Project

description: La4V5(Si2O11)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.76 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.74 Å. There are four inequivalent V+3.20+ sites. In the first V+3.20+ site, V+3.20+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SiO4 tetrahedra. There are two shorter (1.98 Å) and four longer (2.12 Å) V–O bond lengths. In the second V+3.20+ site, V+3.20+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four VO6 octahedra, corners with two equivalent SiO4 tetrahedra, and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of V–O bond distances ranging from 2.00–2.08 Å. In the third V+3.20+ site, V+3.20+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.02 Å) and four longer (2.06 Å) V–O bond lengths. In the fourth V+3.20+ site, V+3.20+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are four shorter (1.99 Å) and two longer (2.01 Å) V–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent VO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three VO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–54°. There are a spread of Si–O bond distances ranging from 1.61–1.64 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V+3.20+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two La3+, one V+3.20+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and three V+3.20+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+ and three V+3.20+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two V+3.20+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+, one V+3.20+, and one Si4+ atom.
DOI: 10.17188/1193817
title: Materials Data on RbVO3 by Materials Project

description: RbVO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.48 Å. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.67–1.84 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one V5+ atom.
DOI: 10.6084/m9.figshare.12620753
title: Data from: Bayesian Network Analysis reveals resilience of Aurelia aurita to Irish Sea zooplankton regime shifts

description: The data for the contemporary jellyfish-zooplankton network were collected over a 2 week cruise in the Irish Sea on the RV Prince Madog in 2008. Zooplankton were collected using horizontally-towed midwater MIK net and vertically hauled ringnets at 144 different stations (Fig. 3). At each station, physical variables were recorded as follows: location, depth, pressure, flow rate (used to calculate volume filtered), estimated sample depth and water depth using a CTD/sonde system. Stations without depth estimates were excluded from analyses because zooplankton counts could not be standardised. Zooplankton were identified and counts per sample were then standardised using the estimated volume of water sampled. The volume of water sampled was calculated as the mean number of revolutions (NR) per minute of the flow meter, multiplied by the volume of the net. If the mean NR was more than one standard deviation outside the stated flowmeter revolutions per minute, these samples were discarded. For analyses, the zooplankton were grouped by biogeographic group following Beaugrand et al. 2001.
DOI: 10.17188/1193819
title: Materials Data on Mg3V2O8 by Materials Project

description: Mg3(VO4)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with four equivalent MgO6 octahedra. There are two shorter (2.06 Å) and four longer (2.15 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with four MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.04–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with nine MgO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of V–O bond distances ranging from 1.73–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one V5+ atom.
DOI: 10.6084/m9.figshare.12620753.v1
title: Data from: Bayesian Network Analysis reveals resilience of Aurelia aurita to Irish Sea zooplankton regime shifts

description: The data for the contemporary jellyfish-zooplankton network were collected over a 2 week cruise in the Irish Sea on the RV Prince Madog in 2008. Zooplankton were collected using horizontally-towed midwater MIK net and vertically hauled ringnets at 144 different stations (Fig. 3). At each station, physical variables were recorded as follows: location, depth, pressure, flow rate (used to calculate volume filtered), estimated sample depth and water depth using a CTD/sonde system. Stations without depth estimates were excluded from analyses because zooplankton counts could not be standardised. Zooplankton were identified and counts per sample were then standardised using the estimated volume of water sampled. The volume of water sampled was calculated as the mean number of revolutions (NR) per minute of the flow meter, multiplied by the volume of the net. If the mean NR was more than one standard deviation outside the stated flowmeter revolutions per minute, these samples were discarded. For analyses, the zooplankton were grouped by biogeographic group following Beaugrand et al. 2001.
DOI: 10.17188/1193820
title: Materials Data on BaFeO3 by Materials Project

description: BaFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Ba–O bond lengths are 2.85 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 2.02 Å. O is bonded to four equivalent Ba and two equivalent Fe atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1193821
title: Materials Data on Tm2V2O7 by Materials Project

description: Tm2V2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.17 Å) and six longer (2.44 Å) Tm–O bond lengths. V4+ is bonded to six equivalent O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All V–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tm3+ atoms to form corner-sharing OTm4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent V4+ atoms.
DOI: 10.17188/1193822
title: Materials Data on K2W2O7 by Materials Project

description: K2W2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.29 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of W–O bond distances ranging from 1.81–2.19 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one W6+ atom. In the second O2- site, O2- is bonded to two equivalent K1+ and two equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing OK2W2 tetrahedra. In the third O2- site, O2- is bonded in a linear geometry to four equivalent K1+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent W6+ atoms.
DOI: 10.17188/1193823
title: Materials Data on SrV2O6 by Materials Project

description: SrV2O6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.98 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.03 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.06 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one V5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and three V5+ atoms.
DOI: 10.17188/1193824
title: Materials Data on CdMoO4 by Materials Project

description: CdMoO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. Cd2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.46 Å) Cd–O bond lengths. O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1193825
title: Materials Data on Ca3Mn2O7 by Materials Project

description: Ca3Mn2O7 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.62 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.29–2.55 Å. Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ca2+ and one Mn4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+ and two equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Mn4+ atoms.
DOI: 10.17188/1193826
title: Materials Data on LiV(SiO3)2 by Materials Project

description: LiVSi2O6 is Esseneite structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.07–2.53 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent VO6 octahedra. There are a spread of V–O bond distances ranging from 1.96–2.12 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent VO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–59°. There is one shorter (1.62 Å) and three longer (1.65 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent VO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–59°. There is one shorter (1.61 Å) and three longer (1.65 Å) Si–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent V3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLiV2Si trigonal pyramids. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one V3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded to one Li1+, two equivalent V3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLiV2Si trigonal pyramids. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one V3+, and one Si4+ atom.
DOI: 10.17188/1193827
title: Materials Data on Na2FeO4 by Materials Project

description: Na2FeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are two shorter (2.38 Å) and four longer (2.44 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.36 Å) and two longer (2.49 Å) Na–O bond lengths. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There is two shorter (1.65 Å) and two longer (1.67 Å) Fe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Na and one Fe atom. In the second O site, O is bonded in a 4-coordinate geometry to three Na and one Fe atom.