Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4333666
Preview
| Coordinates | 4333666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Barium Indium Manganese Oxide |
|---|---|
| Formula | Ba In0.82 Mn0.18 O2.5 |
| Calculated formula | Ba In0.82 Mn0.18 O2.4999 |
| Title of publication | Intense Turquoise and Green Colors in Brownmillerite-Type Oxides Based on Mn5+ in Ba2In2-xMnxO5+x |
| Authors of publication | Peng Jiang; Jun Li; A. Ozarowski; Arthur W. Sleight; M. A. Subramanian |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 1349 - 1357 |
| a | 4.2208 ± 0.0001 Å |
| b | 4.2208 ± 0.0001 Å |
| c | 4.2208 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 75.194 ± 0.003 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.016 |
| Weighted residual factors for all reflections included in the refinement | 0.0282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.75 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.066 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190392 (current) | 2017-01-11 | cif/4/33/ (antanas@echidna.ibt.lt) Changing the values of data items related to the _atom_site_label data item (e. g. _geom_bond_atom_site_label_*) to match the _atom_site_label values in entry 4333666. |
4333666.cif |
| 190391 | 2017-01-11 | cif/4/33/36/ (antanas@echidna.ibt.lt) Moving _atom_type_scat_length_neutron, _atom_type_scat_source data item into the _atom_type. Removing the atom type prefix from the _atom_type_scat_length_neutron values in entries 4333664, 4333665, 4333666. |
4333666.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4333666.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
4333666.cif |
| 99468 | 2014-01-31 | cif/ Adding structures of 4333666 via cif-deposit CGI script. |
4333666.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.