TY  - JOUR
AU  - Tančić, Pavle
AU  - Dušanić, Slađana
AU  - Erić, Suzana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6185
AB  - The grossular garnet from rodingite-type rock from the Suva Česma area in western Serbia is characterized with its weak anisotropic nature. Because its anisotropy could indicate a non-cubic lower symmetry, SEM-EDS and Rietveld powder refinement methods were used. The SEM-EDS results have shown that the garnet has a (Ca3.00Mn0.01)3.01(Al1.82Fe0.15Ti0.02)1.99(Si2.97Al0.03)3.00O12 chemical composition (i.e., Grs91Adr08), which can be more specifically explained as ferric iron containing grossular. The next step further used Rietveld powder refinements of the various crystal structures in the Ia‾3d, R‾3c, R‾3, I41/a, Fddd, C2/c, and I‾1 space groups as well as a single mixture, which was followed by a comparative analysis of the R-values, site occupancy factors, and bond lengths and angles. The synthesis of these results showed both that the studied grossular garnet is not cubic and that it crystallized in the disordered Fddd space group with the final RB = 5.29% and RF = 1.75%. It was presumed that the grossular formed at temperatures between 150 and ~600 °C.
PB  - MDPI
T2  - Powders
T1  - Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement
VL  - 2
IS  - 2
SP  - 387
EP  - 402
DO  - 10.3390/powders2020023
ER  - 

@article{
author = "Tančić, Pavle and Dušanić, Slađana and Erić, Suzana",
year = "2023",
abstract = "The grossular garnet from rodingite-type rock from the Suva Česma area in western Serbia is characterized with its weak anisotropic nature. Because its anisotropy could indicate a non-cubic lower symmetry, SEM-EDS and Rietveld powder refinement methods were used. The SEM-EDS results have shown that the garnet has a (Ca3.00Mn0.01)3.01(Al1.82Fe0.15Ti0.02)1.99(Si2.97Al0.03)3.00O12 chemical composition (i.e., Grs91Adr08), which can be more specifically explained as ferric iron containing grossular. The next step further used Rietveld powder refinements of the various crystal structures in the Ia‾3d, R‾3c, R‾3, I41/a, Fddd, C2/c, and I‾1 space groups as well as a single mixture, which was followed by a comparative analysis of the R-values, site occupancy factors, and bond lengths and angles. The synthesis of these results showed both that the studied grossular garnet is not cubic and that it crystallized in the disordered Fddd space group with the final RB = 5.29% and RF = 1.75%. It was presumed that the grossular formed at temperatures between 150 and ~600 °C.",
publisher = "MDPI",
journal = "Powders",
title = "Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement",
volume = "2",
number = "2",
pages = "387-402",
doi = "10.3390/powders2020023"
}

Tančić, P., Dušanić, S.,& Erić, S.. (2023). Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement. in Powders
MDPI., 2(2), 387-402.
https://doi.org/10.3390/powders2020023

Tančić P, Dušanić S, Erić S. Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement. in Powders. 2023;2(2):387-402.
doi:10.3390/powders2020023 .

Tančić, Pavle, Dušanić, Slađana, Erić, Suzana, "Orthorhombic Crystal Structure of Grossular Garnet (Suva Česma, Western Serbia): Evidence from the Rietveld Refinement" in Powders, 2, no. 2 (2023):387-402,
https://doi.org/10.3390/powders2020023 . .

TY  - DATA
AU  - Tančić, Pavle
AU  - Dušanić, Slađana
AU  - Erić, Suzana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6977
AB  - Table S1. Profile parameters for the studied space groups without constraints.; Table S2. Unit cell dimensions and quantitative contents of garnet and chlorite for the studied space groups without constraints. Calculated 4 × c0/a0 parameters and distortion angles (α) for the rhombohedral R‾3c and R‾3 s.g.’s, and specific geometry–mathematical transformations [5,6] of the crystallographic axes within Ia‾3d, R‾3c, R‾3, Fddd, C2/c, and I‾1 s.g.’s are also presented.; Table S3. Calculated Al sof’s (in %) and selected Si-O, Y-O, and Ca-O distances (in Å) for the studied space groups without constraints.; Table S4. Profile parameters for the studied space groups with constraints.; Table S5. Unit cell dimensions and quantitative contents of garnet and chlorite for the studied space groups with constraints. Calculated 4 × c0/a0 parameters and distortion angles (α) for the rhombohedral R‾3c and R‾3 s.g.’s, and specific geometry–mathematical transformations [5,6] of the crystallographic axes within Ia‾3d, R‾3c, R‾3, Fddd, C2/c, and I‾1 s.g.’s, are also presented.; Table S6. Calculated Al sof’s (in %) and selected Si–O, Y–O, and Ca–O distances (in Å) for the studied space groups with constraints.; Table S7. Selected distances (in Å) and angles (in °) for the orthorhombic Fddd space group (withouta and withb constraints).; Table S8. Selected distances among the studied cation sites (in Å) for the orthorhombic Fddd space group (withouta and withb constraints).; Figure S1. Final Rietveld plot for the Ia‾3d space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite.; Figure S2. Final Rietveld plot for the R‾3c space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars: upper row: garnet; lower row: chlorite; Figure S3. Final Rietveld plot for the Fddd space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row-garnet; lower row-chlorite; Figure S4. Final Rietveld plot for the C2/c space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S5. Final Rietveld plot for the I‾1 space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S6. Final Rietveld plot for the R‾3 space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S7. Final Rietveld plot for the I41/a space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S8. Final Rietveld plot for the Ia‾3d space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S9. Final Rietveld plot for the R‾3c space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S10. Final Rietveld plot for the Fddd space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S11. Final Rietveld plot for the C2/c space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S12. Final Rietveld plot for the I‾1 space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S13. Final Rietveld plot for the R‾3 space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S14. Final Rietveld plot for the I41/a space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite.
PB  - MDPI, Basel, Switzerland
T2  - Powders
T1  - Supplementary Materials for: "Orthorhombic crystal structure of grossular garnet (Suva Česma, Western Serbia): Evidence from the Rietveld refinement"
UR  - https://hdl.handle.net/21.15107/rcub_cer_6977
ER  - 

@misc{
author = "Tančić, Pavle and Dušanić, Slađana and Erić, Suzana",
year = "2023",
abstract = "Table S1. Profile parameters for the studied space groups without constraints.; Table S2. Unit cell dimensions and quantitative contents of garnet and chlorite for the studied space groups without constraints. Calculated 4 × c0/a0 parameters and distortion angles (α) for the rhombohedral R‾3c and R‾3 s.g.’s, and specific geometry–mathematical transformations [5,6] of the crystallographic axes within Ia‾3d, R‾3c, R‾3, Fddd, C2/c, and I‾1 s.g.’s are also presented.; Table S3. Calculated Al sof’s (in %) and selected Si-O, Y-O, and Ca-O distances (in Å) for the studied space groups without constraints.; Table S4. Profile parameters for the studied space groups with constraints.; Table S5. Unit cell dimensions and quantitative contents of garnet and chlorite for the studied space groups with constraints. Calculated 4 × c0/a0 parameters and distortion angles (α) for the rhombohedral R‾3c and R‾3 s.g.’s, and specific geometry–mathematical transformations [5,6] of the crystallographic axes within Ia‾3d, R‾3c, R‾3, Fddd, C2/c, and I‾1 s.g.’s, are also presented.; Table S6. Calculated Al sof’s (in %) and selected Si–O, Y–O, and Ca–O distances (in Å) for the studied space groups with constraints.; Table S7. Selected distances (in Å) and angles (in °) for the orthorhombic Fddd space group (withouta and withb constraints).; Table S8. Selected distances among the studied cation sites (in Å) for the orthorhombic Fddd space group (withouta and withb constraints).; Figure S1. Final Rietveld plot for the Ia‾3d space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite.; Figure S2. Final Rietveld plot for the R‾3c space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars: upper row: garnet; lower row: chlorite; Figure S3. Final Rietveld plot for the Fddd space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row-garnet; lower row-chlorite; Figure S4. Final Rietveld plot for the C2/c space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S5. Final Rietveld plot for the I‾1 space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S6. Final Rietveld plot for the R‾3 space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S7. Final Rietveld plot for the I41/a space group without constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S8. Final Rietveld plot for the Ia‾3d space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S9. Final Rietveld plot for the R‾3c space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S10. Final Rietveld plot for the Fddd space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S11. Final Rietveld plot for the C2/c space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S12. Final Rietveld plot for the I‾1 space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S13. Final Rietveld plot for the R‾3 space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite; Figure S14. Final Rietveld plot for the I41/a space group with constraints. Observed intensities (Yobs) were presented with red color, calculated intensities (Ycalc) were presented with black color, and differences between observed and calculated intensities (Yobs-Ycalc) were presented with blue color. Reflection (Bragg) positions were presented with green vertical bars; upper row: garnet; lower row: chlorite.",
publisher = "MDPI, Basel, Switzerland",
journal = "Powders",
title = "Supplementary Materials for: "Orthorhombic crystal structure of grossular garnet (Suva Česma, Western Serbia): Evidence from the Rietveld refinement"",
url = "https://hdl.handle.net/21.15107/rcub_cer_6977"
}

Tančić, P., Dušanić, S.,& Erić, S.. (2023). Supplementary Materials for: "Orthorhombic crystal structure of grossular garnet (Suva Česma, Western Serbia): Evidence from the Rietveld refinement". in Powders
MDPI, Basel, Switzerland..
https://hdl.handle.net/21.15107/rcub_cer_6977

Tančić P, Dušanić S, Erić S. Supplementary Materials for: "Orthorhombic crystal structure of grossular garnet (Suva Česma, Western Serbia): Evidence from the Rietveld refinement". in Powders. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6977 .

Tančić, Pavle, Dušanić, Slađana, Erić, Suzana, "Supplementary Materials for: "Orthorhombic crystal structure of grossular garnet (Suva Česma, Western Serbia): Evidence from the Rietveld refinement"" in Powders (2023),
https://hdl.handle.net/21.15107/rcub_cer_6977 .

TY  - CONF
AU  - Dušanić, Slađana
AU  - Tančić, Pavle
AU  - Popović, Danica
PY  - 2010
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6018
AB  - During the field geological mapping and accompanied laboratory studies of the samples for the Basic Geological Map in the wider area of the town of Valjevo (Central Serbia) were distinguished serpentinites, gabbros, peridotites, andesites, diabases and amphibolites. In addition, at one locality within the area (i.e. the village of Danilović, site Suva česma), there was detected one unusual rock in the contact with serpentinite, which is in this paper further determined by the optical microscopic, XRPD and chemical methods, as rodingite.
PB  - Carpathian-Balkan Geological Association
C3  - Abstracts volume - XIX CBGA Congress, Geologica Balcanica
T1  - First occurrence of rodingite in Central Serbia
VL  - 39
IS  - 1-2
SP  - 106
UR  - https://hdl.handle.net/21.15107/rcub_cer_6018
ER  - 

@conference{
author = "Dušanić, Slađana and Tančić, Pavle and Popović, Danica",
year = "2010",
abstract = "During the field geological mapping and accompanied laboratory studies of the samples for the Basic Geological Map in the wider area of the town of Valjevo (Central Serbia) were distinguished serpentinites, gabbros, peridotites, andesites, diabases and amphibolites. In addition, at one locality within the area (i.e. the village of Danilović, site Suva česma), there was detected one unusual rock in the contact with serpentinite, which is in this paper further determined by the optical microscopic, XRPD and chemical methods, as rodingite.",
publisher = "Carpathian-Balkan Geological Association",
journal = "Abstracts volume - XIX CBGA Congress, Geologica Balcanica",
title = "First occurrence of rodingite in Central Serbia",
volume = "39",
number = "1-2",
pages = "106",
url = "https://hdl.handle.net/21.15107/rcub_cer_6018"
}

Dušanić, S., Tančić, P.,& Popović, D.. (2010). First occurrence of rodingite in Central Serbia. in Abstracts volume - XIX CBGA Congress, Geologica Balcanica
Carpathian-Balkan Geological Association., 39(1-2), 106.
https://hdl.handle.net/21.15107/rcub_cer_6018

Dušanić S, Tančić P, Popović D. First occurrence of rodingite in Central Serbia. in Abstracts volume - XIX CBGA Congress, Geologica Balcanica. 2010;39(1-2):106.
https://hdl.handle.net/21.15107/rcub_cer_6018 .

Dušanić, Slađana, Tančić, Pavle, Popović, Danica, "First occurrence of rodingite in Central Serbia" in Abstracts volume - XIX CBGA Congress, Geologica Balcanica, 39, no. 1-2 (2010):106,
https://hdl.handle.net/21.15107/rcub_cer_6018 .