Raman Open Database

Information card for entry 3500042

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External links
Raman spectrum	3500042.rod 3500042.jdx
COD: 5910045
SOLSA sample: CN-AA00-0031

Structure parameters

Chemical name	Calcium nitrate
Mineral name	Nitrocalcite
Formula	Ca N2 O6
Title of publication	Raman spectrum of commercial Ca(NO3)2
Authors of publication	El Mendili, Y
Journal of publication	Personal communication to ROD
Year of publication	2017
a	7.6 Å
b	7.6 Å
c	7.6 Å
α	90°
β	90°
γ	90°
Cell volume	438.976 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
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.	3500042.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 $rod_file; done < "rod2dates.lst" Each line of the "rod2dates.lst" file contained a single ROD ID and a corresponding _raman_measurement.datetime_initiated data value.	3500042.rod
236	2017-10-06	cif/ Updating files of 3500042 Original log message: Mineral name changed	3500042.rod
219	2017-10-05	rod/ (antanas@echidna) Adding _solsa_sample.id data item to multiple entries. The following sh command was used: while IFS=" " read -r rodId solsaId do rod_file=$( \ 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.	3500042.rod
178	2017-09-21	cif/ Adding structures of 3500042 via cif-deposit CGI script.	3500042.rod