For Rietveld Refinement, x,y,z values of Sn and O of Orthorhombic SnO2 are needed.
The x,y,z values of Orthorhombic SnO2
atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sn1 0.00000 0.00000 0.00000 Sn2 0.00000 0.44100 0.25400 O1 0.18000 0.25000 0.38000
Can you please provide some reference please...
data_SnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83233595
_cell_length_b 4.83233595
_cell_length_c 3.24322132
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnO2
_chemical_formula_sum 'Sn2 O4'
_cell_volume 75.73398774
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sn Sn0 1 0.000000 0.000000 0.000000 1.0
Sn Sn1 1 0.500000 0.500000 0.500000 1.0
O O2 1 0.193448 0.806552 0.500000 1.0
O O3 1 0.806552 0.193448 0.500000 1.0
O O4 1 0.693448 0.693448 0.000000 1.0
O O5 1 0.306552 0.306552 0.000000 1.0
Basically, i am trying to understand from the literature whether lobbying can also considered an alternative source of financing fiscal deficit.
26 July 2024 8,692 5 View
I know the difference between instrumental LOD and method LOD but my query is - in case of any sample whose concentration is zero or not detected by the instrumental LOD, is it possible to get...
24 July 2024 6,592 5 View
I have a plant whose roots have been infected with both bacteria and fungi. What strategy should I follow to isolate RNA of all three, i.e. plant, bacteria and fungi at once? This RNA is to be...
09 June 2024 9,876 0 View
if I want to run my battery cycling test in 1 C rate ,but then I need to know the capacity of my material used in the coin cell (i.e. if my capacity is 20mAh then I will put a constant current of...
05 May 2024 1,364 1 View
I'm currently experiencing convergence failure while attempting to optimize a dimeric liquid crystal molecule under the influence of an electric field. The optimization code I'm using is...
10 March 2024 4,737 0 View
implying that a molecule with a lower dipole moment exhibits lower hyperpolarizability and polarizability compared to one with a higher dipole moment?
07 March 2024 572 2 View
Im trying to run dbscan.py by using vmd (dcd and pdb) files but the script is showing error. Its not generating cluster it's only generating noise from the trajectory file. How to solve this issue...
03 March 2024 6,414 0 View
I am conducting a study that involves analyzing categorical outcome variables with multiple levels and want to employ multinomial logistic regression analysis in SPSS for my data. However, I'm...
29 February 2024 8,533 4 View
Hello everyone, I am currently working on developing a method to quantify butyric acid in plasma on single quad-GCMS using electron impact mode. For this purpose, I am currently following this...
14 February 2024 3,919 0 View
What are the key considerations and steps involved in the simple centrifugation method for isolating lymphocytes withou using ready to use lymphocytes seperating medium?
29 January 2024 3,222 0 View
Require for Rietveld refinement in XRD.
08 August 2024 3,081 2 View
I want to refine one XRD peak of my in-situ xrd but the background is never working good which ultimately fails the refinement. How to refine and adjust the background using GSAS-II
05 August 2024 5,291 2 View
One of the papers I read by Toby, where (title of the paper was "R factors in Rietveld analysis: How good is good enough?"), he tells us that to get good chi square value, you must have low Rwp,...
17 July 2024 9,668 4 View
I forgot to autozero during the run (Size exclusion chromatography.) and later i realised i forgot to do that and the baseline was not zero but below zero (and in some cases it above zero). I...
15 July 2024 5,551 6 View
I am trying to refine my data in full prof and my chi2 is 0,834E11 and everytime i try to refine the data the plot deviates further from the actual data and the chi2 doesnt change. The first image...
02 June 2024 5,805 5 View
Sample displacement in microns is found under the "Sample Parameters" item in the menu tree. Should this be refined at all during Le Bail refinement?
02 June 2024 663 0 View
Chi-squared is a small, good-fit chart but it has high R factors. Is this result acceptable?
25 May 2024 6,830 0 View
at the time of filling the peroxide value is 0.5 however it increases with the passage of time. we have never faced such problem in past. please someone assist me in this regard.
22 May 2024 6,296 2 View
When refining with HighScore Plus, inserting the CIF file for gamma-Ca2SiO4 and then refining it will show "unusual space group setting for phase: gamma-Ca2SiO4". This occurs for all gamma-Ca2SiO4...
19 May 2024 10,033 1 View
how do I answer this question/ refine and make it more specific
18 May 2024 7,169 0 View