Lotharmeyerite, Ca(Zn,Mn) 2(AsO 4)2-(H 2O,OH) 2

Yongbo W. Yang; Stanley H. Evans; Robert T. Downs; Hexiong Yang

doi:10.1107/S1600536811054286

Lotharmeyerite, Ca(Zn,Mn) ₂(AsO ₄)2-(H ₂O,OH) ₂

Yongbo W. Yang, Stanley H. Evans, Robert T. Downs, Hexiong Yang

Geosciences

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn ³⁺) ₂(AsO ₄) ₂(H ₂O,OH) ₂, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM ₂(XO ₄) ₂(H ₂O,OH) ₂, where A may be occupied by Pb ²⁺, Ca ²⁺, Na ⁺, and Bi ³⁺, M by Fe ³⁺, Mn ³⁺, Cu ²⁺, Zn ²⁺, Co ²⁺, Ni ²⁺, Al ³⁺, and Mg ²⁺, and X by P ^V, As ^V, V ^V, and S ^VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO ₆ octahedra (site symmetry 1̄) extending along [010], which are interconnected by XO ₄ tetrahedra (site symmetry 2) and hydrogen bonds to form [M ₂(XO ₄) ₂(OH,H ₂O) ₂] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn ³⁺ and Mn ²⁺ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn ³⁺. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) Å and the other O···O = 2.595(3) Å. One of the H-atom positions is disordered over two sites with 50% occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.

Original language	English (US)
Pages (from-to)	i9-i10
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	1
DOIs	https://doi.org/10.1107/S1600536811054286
State	Published - Jan 2012

Keywords

Data-to-parameter ratio = 15.1
Disorder in main residue
Mean σ(As-O) = 0.002 Å
R factor = 0.019
Single-crystal X-ray study
T = 293 K
wR factor = 0.045

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

Access to Document

10.1107/S1600536811054286

Cite this

@article{91dcd17e8157425e87b21444c68f9d8e,

title = "Lotharmeyerite, Ca(Zn,Mn) 2(AsO 4)2-(H 2O,OH) 2 ",

abstract = "Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn 3+) 2(AsO 4) 2(H 2O,OH) 2, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM 2(XO 4) 2(H 2O,OH) 2, where A may be occupied by Pb 2+, Ca 2+, Na +, and Bi 3+, M by Fe 3+, Mn 3+, Cu 2+, Zn 2+, Co 2+, Ni 2+, Al 3+, and Mg 2+, and X by P V, As V, V V, and S VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO 6 octahedra (site symmetry {\=1}) extending along [010], which are interconnected by XO 4 tetrahedra (site symmetry 2) and hydrogen bonds to form [M 2(XO 4) 2(OH,H 2O) 2] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn 3+ and Mn 2+ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn 3+. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) {\AA} and the other O···O = 2.595(3) {\AA}. One of the H-atom positions is disordered over two sites with 50% occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.",

keywords = "Data-to-parameter ratio = 15.1, Disorder in main residue, Mean σ(As-O) = 0.002 {\AA}, R factor = 0.019, Single-crystal X-ray study, T = 293 K, wR factor = 0.045",

author = "Yang, {Yongbo W.} and Evans, {Stanley H.} and Downs, {Robert T.} and Hexiong Yang",

year = "2012",

month = jan,

doi = "10.1107/S1600536811054286",

language = "English (US)",

volume = "68",

pages = "i9--i10",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "1",

}

TY - JOUR

T1 - Lotharmeyerite, Ca(Zn,Mn) 2(AsO 4)2-(H 2O,OH) 2

AU - Yang, Yongbo W.

AU - Evans, Stanley H.

AU - Downs, Robert T.

AU - Yang, Hexiong

PY - 2012/1

Y1 - 2012/1

N2 - Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn 3+) 2(AsO 4) 2(H 2O,OH) 2, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM 2(XO 4) 2(H 2O,OH) 2, where A may be occupied by Pb 2+, Ca 2+, Na +, and Bi 3+, M by Fe 3+, Mn 3+, Cu 2+, Zn 2+, Co 2+, Ni 2+, Al 3+, and Mg 2+, and X by P V, As V, V V, and S VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO 6 octahedra (site symmetry 1̄) extending along [010], which are interconnected by XO 4 tetrahedra (site symmetry 2) and hydrogen bonds to form [M 2(XO 4) 2(OH,H 2O) 2] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn 3+ and Mn 2+ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn 3+. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) Å and the other O···O = 2.595(3) Å. One of the H-atom positions is disordered over two sites with 50% occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.

AB - Lotharmeyerite, calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate), Ca(Zn,Mn 3+) 2(AsO 4) 2(H 2O,OH) 2, is a member of the natrochalcite group of minerals, which are characterized by the general formula AM 2(XO 4) 2(H 2O,OH) 2, where A may be occupied by Pb 2+, Ca 2+, Na +, and Bi 3+, M by Fe 3+, Mn 3+, Cu 2+, Zn 2+, Co 2+, Ni 2+, Al 3+, and Mg 2+, and X by P V, As V, V V, and S VI. The minerals in the group display either monoclinic or triclinic symmetry, depending on the ordering of chemical components in the M site. Based on single-crystal X-ray diffraction data of a sample from the type locality, Mapimi, Durango, Mexico, this study presents the first structure determination of lotharmeyerite. Lotharmeyerite is isostructural with natrochalcite and tsumcorite. The structure is composed of rutile-type chains of edge-shared MO 6 octahedra (site symmetry 1̄) extending along [010], which are interconnected by XO 4 tetrahedra (site symmetry 2) and hydrogen bonds to form [M 2(XO 4) 2(OH,H 2O) 2] sheets parallel to (001). These sheets are linked by the larger A cations (site symmetry 2/m), as well as by hydrogen bonds. Bond-valence sums for the M cation, calculated with the parameters for Mn 3+ and Mn 2+ are 2.72 and 2.94 v.u., respectively, consistent with the occupation of the M site by Mn 3+. Two distinct hydrogen bonds are present, one with O···O = 2.610(4) Å and the other O···O = 2.595(3) Å. One of the H-atom positions is disordered over two sites with 50% occupancy, in agreement with observations for other natrochalcite-type minerals, such as natrochalcite and tsumcorite.

KW - Data-to-parameter ratio = 15.1

KW - Disorder in main residue

KW - Mean σ(As-O) = 0.002 Å

KW - R factor = 0.019

KW - Single-crystal X-ray study

KW - T = 293 K

KW - wR factor = 0.045

UR - http://www.scopus.com/inward/record.url?scp=84855398653&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84855398653&partnerID=8YFLogxK

U2 - 10.1107/S1600536811054286

DO - 10.1107/S1600536811054286

M3 - Article

C2 - 22259316

AN - SCOPUS:84855398653

VL - 68

SP - i9-i10

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 1

ER -