Raman Open Database

Information card for entry 3500038

Preview

External links
Raman spectrum	3500038.rod 3500038.jdx
COD: 1000037
SOLSA sample: CN-AA00-0027

Structure parameters

Chemical name	Barite
Mineral name	Barite
Formula	Ba O4 S
Title of publication	Raman spectrum of commercial BaSO4
Authors of publication	El Mendili, Y
Journal of publication	Personal communication to ROD
Year of publication	2017
a	8.884 ± 0.004 Å
b	5.458 ± 0.003 Å
c	7.153 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	346.84 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Excitation wavelength	532 nm
Measurement resolution	3 cm^-1
Polarization direction	unoriented
Power on sample	1 mW
Spot size of the device	1.3 μm
Company of the measurement device	Thermo Scientific
Model of the measurement device	DXR
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
361 (current)	2018-01-05	rod/ Replacing the '_raman_measurement_device.name' data item with the '_raman_measurement_device.model' data item.	3500038.rod
294	2017-11-07	rod/ Adding _raman_measurement.datetime_initiated data item to multiple entries. The following sh command was used: while IFS=" " read -r rodId experimentDate do rod_file=$( \ echo "${rodId}" \| \ gawk -vRODPATH=${HOME}/src/rod/cif/ \ '{print RODPATH \ substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0".rod"}' \ ); echo "_raman_measurement.datetime_initiated ${experimentDate}" >> $rod_file; cif_filter -h $rod_file $rod_file \ --use-datablocks-without-coordinates \| \ grep -v -P '^#((BEGIN)\|(END))' \| \ sponge $rod_file; done < "rod2dates.lst" Each line of the "rod2dates.lst" file contained a single ROD ID and a corresponding _raman_measurement.datetime_initiated data value.	3500038.rod
219	2017-10-05	rod/ (antanas@echidna) Adding _solsa_sample.id data item to multiple entries. The following sh command was used: while IFS=" " read -r rodId solsaId do rod_file=$( \ echo "${rodId}" \| \ gawk -vRODPATH=${HOME}/src/rod/cif/ \ '{print RODPATH \ substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0".rod"}' \ ); echo "_solsa_sample.id ${solsaId}" >> $rod_file; cif_filter -h $rod_file $rod_file \ --use-datablocks-without-coordinates \| \ grep -v -P '^#((BEGIN)\|(END))' \| \ sponge $rod_file; done < "rod2solsa.lst" Each line of the "rod2solsa.lst" file contained a single ROD ID and a corresponding SOLSA ID.	3500038.rod
174	2017-09-21	cif/ Adding structures of 3500038 via cif-deposit CGI script.	3500038.rod