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At least 775 records · Page 43

Effects of spatial resolution on WRF v3.8.1 simulated meteorology over the central Himalaya

The sensitive ecosystem of the central Himalayan (CH) region, which is experiencing enhanced stress from anthropogenic forcing, requires adequate atmospheric observations and an improved representation of the Himalaya in the models. However, the accuracy of atmospheric models remains limited in this region due to highly complex mountainous topography. This article delineates the effects of spatial resolution on the modeled meteorology and dynamics over the CH by utilizing the Weather Research and Forecasting (WRF) model extensively evaluated against the Ganges Valley Aerosol Experiment (GVAX) observations during the summer monsoon. The WRF simulation is performed over a domain (d01) encompassing northern India at 15 km x 15 km resolution and two nests (d02 at 5 km x 5 km and d03 at 1 km x 1 km) centered over the CH, with boundary conditions from the respective parent domains. WRF simulations reveal higher variability in meteorology, e.g., relative humidity (RH = 70.3%-96.1%) and wind speed (WS = 1.1-4.2m s(-1)), compared to the ERA-Interim reanalysis (RH D 80.0%-85.0%, WS D 1.2-2.3m s(-1)) over northern India owing to the higher resolution. WRF-simulated temporal evolution of meteorological variables is found to agree with balloon-borne measurements, with stronger correlations aloft (r = 0.44-0.92) than those in the lower troposphere (r = 0.18-0.48). The model overestimates temperature (warm bias by 2.8 degrees C) and underestimates RH (dry bias by 6.4 %) at the surface in d01. Model results show a significant improvement in d03 (P = 827.6 hPa, T = 19.8 degrees C, RH = 92.3 %), closer to the GVAX observations (P = 801.4 hPa, T = 19.5 degrees C, RH = 94.7 %). Interpolating the output from the coarser domains (d01, d02) to the altitude of the station reduces the biases in pressure and temperature; however, it suppresses the diurnal variations, highlighting the importance of well-resolved terrain (d03). Temporal variations in near-surface P, T, and RH are also reproduced by WRF in d03 to an extent (r>0:5). A sensitivity simulation incorporating the feedback from the nested domain demonstrates the improvement in simulated P, T, and RH over the CH. Our study shows that the WRF model setup at finer spatial resolution can significantly reduce the biases in simulated meteorology, and such an improved representation of the CH can be adopted through domain feedback into regional-scale simulations. Interestingly, WRF simulates a dominant easterly wind component at 1 km x 1 km resolution (d03), which is missing in the coarse simulations; however, the frequency of southeasterlies remains underestimated. The model simulation implementing a highresolution (3 s) topography input (SRTM) improved the prediction of wind directions; nevertheless, further improvements are required to better reproduce the observed local-scale dynamics over the CH.

Singh, Jaydeep↗

Combined Mesonet and Tracker

Title: Combined Mesonet and Trackers (UNL Mobile Mesonets) Authors University of Nebraska PI: Adam Houston, UNL Professor (ahouston2@unl.edu) Mailing Address: 126 Bessey Hall P.O. Box 880340 Lincoln, NE 68588-0340 CoMeT Overview The University of Nebraska-Lincoln operates three Combined Mesonet and Tracker (CoMeTs). CoMeTs are Ford Explorers (model years 2015, 2017, and 2019) with forward-mounted suites of meteorological sensors and dual moonroofs, combining the capability of a mobile mesonet to collect near-surface observations with the capability of an unmanned aircraft systems (UAS) tracker vehicle, which enables an observer in the second row of seats to see the aircraft and maintain compliance with Federal Aviation Administration policies on UAS operation. The CoMeTs collect observations of slow temperature and humidity at ~2 m above ground level (AGL) using a Vaisala HMP155A, fast temperature at ~2 m AGL using a Campbell Scientific 109SS-L thermistor, pressure at ~2.5 m AGL using a Vaisala PTB210, wind speed and direction at ~3.25 m AGL using an R.M. Young 05103 propeller anemometer, and vehicle heading using a KVH Industries C-100 fluxgate compass (Barbieri et al. 2019). The HMP155A and 109SS-L thermistor are shielded and aspirated within a U-tube (Waugh and Frederickson 2010; Houston et al. 2016). This list of sensors is also included in the CoMeT data file metadata. Manufacturer specifications for these instruments are given in Table 1 of Hanft and Houston (2018). The reported measured quantities are summarized below.CoMeT-3 was funded through an equipment allocation included in the NSF TORUS award (AGS-1824649). Instrument Description The specific sensors included on each CoMeT are summarized in the table at the end of this section. In general each CoMeT collects observations of slow temperature and humidity at ~2 m above ground level (AGL) using a Vaisala HMP155, fast temperature at ~2 m AGL using a Campbell Scientific 109SS-L thermistor, pressure at ~2.5 m AGL using a Vaisala PTB210 barometer with a Gill pressure port, wind speed and direction at ~3.25 m AGL using an R.M. Young 05103 propeller anemometer, position using a Garmin 19x HVS receiver, and vehicle heading using a KVH Industries C-100 fluxgate compass. The HMP155 and 109SS are shielded and aspirated within a U-tube (Waugh and Frederickson 2010; Houston et al. 2016). Fast temperature and corrected RH measurements (using sensors housed within the U-tube) have a time constant of 10-12 s based on data collected across a temperature and RH shock during the CLOUD-MAP 2017 calibration/validation tests on June 26, 2017. Vehicle speed was < 10 kts for this test. CoMeT-1 CoMeT-2 CoMeT-3 Slow Temperature Slow RH Vaisala HMP155A-L20-PT Part #: 22280-7 Vaisala HMP155E Part #: E1AA11A0B1A1A0A Vaisala HMP155E Part #: E1AA11A0B1A1A0A Fast temperature Campbell Scientific 109SS-L20-PT Part #: 21448-3 Campbell Scientific 109SS-L12-PW Part #: 21448-109 Campbell Scientific 109SS-L12-PW Part #: 21448-150 Pressure Vaisala PTB-210 Part #: A1A1B Gill Pressure Port Part #: 61002 Vaisala PTB-210 Part #: A1A1B Gill Pressure Port Part #: 61002 Vaisala PTB-210 Part #: A1A1B Gill Pressure Port Part #: 61002 Wind RM Young 05103-L20-PT Part #: 18435-310 RM Young 05103-L20-PW Part #: 18435-244 RM Young 05103-L20-PW Part #: 18435-244 GPS Garmin GPS 19x HVS (NMEA 0183) Part #: 010-01010-00 Garmin GPS 19x HVS (NMEA 0183) Part #: 010-01010-00 Garmin GPS 19x HVS (NMEA 0183) Part #: 010-01010-00 Compass KVH C-100 Part #: 01-0177-15 KVH C-100 Part #: 01-0177-15 KVH C-100 Part #: 01-0177-15 Logger Campbell Scientific CR6-NA-XT-SW Part #: 28385-9 Campbell Scientific CR6-WIFI-XT-SW Part #: 28385-6 Campbell Scientific CR6-WIFI-XT-SW Part #: 28385-6 Data Collection and Real-Time Processing The reported measured quantities are summarized in the table below. Quantity Units Source Epoch time Seconds GPS Latitude and longitude Degrees GPS Altitude m GPS Pressure hPa PTB210 Temperature (fast) deg C 109SS-L Temperature (slow) deg C HMP155 RH (slow) % HMP155 Vehicle speed m/s GPS Vehicle heading deg C-100 and GPS In addition to the measured variables, several derived variables are calculated. Corrected/fast relative humidity (%) Relative humidity is adjusted to the fast temperature following Richardson et al. (1998) and Houston et al. (2016). Water vapor mixing ratio (g/kg) Dew point temperature (&deg;C) Potential temperature (Kelvin) Virtual potential temperature (Kelvin) Equivalent potential temperature (Kelvin) Regular intercomparisons between all three CoMeTs were performed during TORUS 2019. Comparisons were also conducted between CoMeT-1 and CoMeT-2 during LAPSE-RATE (2018) on 14 July. In these intercomparisons, the vehicles were parked adjacent to each other aligned perpendicular to (and facing into) the wind. To minimize engine heating effects, intercomparisons were only conducted when the wind speed was >10 kts. Data Format Original data files for each deployment are saved as text files and then converted to NetCDF. NetCDF versions have units that are CF compliant and may not match the original units in the txt files. The naming convention for the NetCDF files is as follows: UNL.CoMeT3.{deployment date YYYYMMDD}.{start time of observation collection in UTC HHMM}.L2.{post-processing codes}.cdf example: UNL.CoMeT3.20190627.1931.L2.g1.f1.cdf Post-processing codes are included to track modifications to the raw data. These codes are closely connected to error flags associated with each record. Each letter corresponds to a particular instrument: g: GPS p: Barometer tf: Fast temperature ts: Slow temperature rh: Relative humidity f: Compass w: Wind monitor a: All instruments Each number corresponds to a particular post-processing action described more below. Measured and derived variables are included in the following table. Variable Heading Standard Name Units time Time seconds since 00:00:00, 01-01-1970 Alt Altitude meters lat Latitude degrees north lon Longitude degrees east fast_temp Air Temperature kelvin slow_temp Air Temperature kelvin pressure Air Pressure pascals logger_RH Relative Humidity percent calc_corr_RH Relative Humidity percent wind_speed Wind Speed meters per second wind_dir Wind From Direction degrees vehicle_dir Vehicle Direction degrees dewpoint Dew Point Temperature kelvin mixing_ratio Humidity Mixing Ratio g/g theta Air Potential Temperature kelvin theta_v Virtual Potential Temperature kelvin theta_e Equivalent Potential Temperature Kelvin error_flag The error_flag variable is a string that matches the post-processing codes listed above. All instruments will have an associated code, but will have a &ldquo;0&rdquo; if the datum is unchanged from the initial processed value. Error Codes The following table summarizes the error codes for data collected before 2020: Error Code Relevant CoMeT Description g1 1,2,3 Exact correction. GPS position and time reprocessed from raw data g2 1 As far as we can tell this is an exact correction to an error in the GPS time. During the correct time periods the time suddenly went backwards ~250s and stayed at this offset for 750s when it corrected itself. The offset was applied to the &ldquo;time warp&rdquo; period. p1 2 Approximate correction. Hole in the pressure tube connecting the pressure port to the barometer. Resulted in erroneously low air pressure measurements when the vehicle was in motion. Derived variables recalculated (dew point temperature [e depends on qv and p], water vapor mixing ratio, potential temperature, virtual potential temperature, equivalent potential temperature) a1 3 Exact correction. Missing data reprocessed from raw data a2 1 Bug fix to bias correction for ts1, ts2, and rh1: water vapor mixing ratio was off by a factor of 10 and virtual potential temperature was wrong because of this. f1 3 No correction, missing data. Fluxgate compass inoperable. Wind speed and direction calculated using GPS-derived vehicle heading instead. rh1 1 Approximate correction. Constant bias of +1.7% removed from relative humidity. Derived variables recalculated (corrected/fast relative humidity, dew point temperature, water vapor mixing ratio, virtual potential temperature, equivalent potential temperature) ts1 1 Approximate correction. Constant bias of +0.6 K removed from slow temperature. Derived variables recalculated (corrected/fast relative humidity, dew point temperature, water vapor mixing ratio, virtual potential temperature, equivalent potential temperature) ts2 1 Approximate correction. Constant bias of +1.0 K removed. Derived variables recalculated (corrected/fast relative humidity, dew point temperature, water vapor mixing ratio, virtual potential temperature, equivalent potential temperature) References Bolton, D., 1980: The Computation of Equivalent Potential Temperature. Mon. Wea. Rev., 108, 1046&ndash;1053, https://doi.org/10.1175/1520-0493(1980)108<1046:TCOEPT>2.0.CO;2. Hanft, W., and A. L. Houston, 2018: An Observational and Modeling Study of Mesoscale Air Masses with High Theta-E. Mon. Wea. Rev., 146, 2503&ndash;2524, https://doi.org/10.1175/MWR-D-17-0389.1.Wexler Houston, A. L., R. J. Laurence III, T. W. Nichols, S. Waugh, B. Argrow, and C. L. Ziegler, 2016: Intercomparison of unmanned aircraft-borne and mobile mesonet atmospheric sensors. Journal of Atmospheric and Oceanic Technology. 33, 1569-1582, doi: 10.1175/JTECH-D-15-0178.1. Lowe, P. R., 1977: An Approximating Polynomial for the Computation of Saturation Vapor Pressure. J. Applied Meteorology, 16, 100&ndash;103. Richardson, S. J., S. E. Frederickson, F. V. Brock, and J. A. Brotzge, 1998: Combination temperature and relative humidity probes: Avoiding large air temperature errors and associated relative humidity errors. Preprints, 10th Symp. On Meteorological Observations and Instrumentation, Phoenix, AZ, Amer. Meteor. Soc., 278&ndash;283. Waugh, S., and S. E. Frederickson, 2010: An improved aspirated temperature system for mobile meteorological observations, especially in severe weather. 25th Conf. on Severe Local Storms, Denver, CO, Amer. Meteor. Soc., P5.2. [Available online at https://ams.confex.com/ams/25SLS/techprogram/paper_176205.htm.]

54 ENVIRONMENTAL SCIENCES↗

Materials Data on TaRh3 by Materials Project

Rh3Ta is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Rh atoms to form TaRh12 cuboctahedra that share corners with twelve equivalent TaRh12 cuboctahedra, edges with twenty-four equivalent RhTa4Rh8 cuboctahedra, faces with six equivalent TaRh12 cuboctahedra, and faces with twelve equivalent RhTa4Rh8 cuboctahedra. All Ta–Rh bond lengths are 2.76 Å. Rh is bonded to four equivalent Ta and eight equivalent Rh atoms to form distorted RhTa4Rh8 cuboctahedra that share corners with twelve equivalent RhTa4Rh8 cuboctahedra, edges with eight equivalent TaRh12 cuboctahedra, edges with sixteen equivalent RhTa4Rh8 cuboctahedra, faces with four equivalent TaRh12 cuboctahedra, and faces with fourteen equivalent RhTa4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗

Materials Data on TiRh3 by Materials Project

Rh3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Rh atoms to form TiRh12 cuboctahedra that share corners with twelve equivalent TiRh12 cuboctahedra, edges with twenty-four equivalent RhTi4Rh8 cuboctahedra, faces with six equivalent TiRh12 cuboctahedra, and faces with twelve equivalent RhTi4Rh8 cuboctahedra. All Ti–Rh bond lengths are 2.73 Å. Rh is bonded to four equivalent Ti and eight equivalent Rh atoms to form distorted RhTi4Rh8 cuboctahedra that share corners with twelve equivalent RhTi4Rh8 cuboctahedra, edges with eight equivalent TiRh12 cuboctahedra, edges with sixteen equivalent RhTi4Rh8 cuboctahedra, faces with four equivalent TiRh12 cuboctahedra, and faces with fourteen equivalent RhTi4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗

Materials Data on VRh3 by Materials Project

Rh3V is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Rh atoms to form VRh12 cuboctahedra that share corners with twelve equivalent VRh12 cuboctahedra, edges with twenty-four equivalent RhV4Rh8 cuboctahedra, faces with six equivalent VRh12 cuboctahedra, and faces with twelve equivalent RhV4Rh8 cuboctahedra. All V–Rh bond lengths are 2.70 Å. Rh is bonded to four equivalent V and eight equivalent Rh atoms to form distorted RhV4Rh8 cuboctahedra that share corners with twelve equivalent RhV4Rh8 cuboctahedra, edges with eight equivalent VRh12 cuboctahedra, edges with sixteen equivalent RhV4Rh8 cuboctahedra, faces with four equivalent VRh12 cuboctahedra, and faces with fourteen equivalent RhV4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗

Materials Data on CrRh3 by Materials Project

CrRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Rh atoms to form CrRh12 cuboctahedra that share corners with twelve equivalent CrRh12 cuboctahedra, edges with twenty-four equivalent RhCr4Rh8 cuboctahedra, faces with six equivalent CrRh12 cuboctahedra, and faces with twelve equivalent RhCr4Rh8 cuboctahedra. All Cr–Rh bond lengths are 2.69 Å. Rh is bonded to four equivalent Cr and eight equivalent Rh atoms to form distorted RhCr4Rh8 cuboctahedra that share corners with twelve equivalent RhCr4Rh8 cuboctahedra, edges with eight equivalent CrRh12 cuboctahedra, edges with sixteen equivalent RhCr4Rh8 cuboctahedra, faces with four equivalent CrRh12 cuboctahedra, and faces with fourteen equivalent RhCr4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.69 Å.

36 MATERIALS SCIENCE↗

Materials Data on MoRh by Materials Project

MoRh is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mo is bonded to four equivalent Mo and eight equivalent Rh atoms to form MoMo4Rh8 cuboctahedra that share corners with eight equivalent RhMo8Rh4 cuboctahedra, corners with ten equivalent MoMo4Rh8 cuboctahedra, edges with six equivalent MoMo4Rh8 cuboctahedra, edges with twelve equivalent RhMo8Rh4 cuboctahedra, faces with eight equivalent RhMo8Rh4 cuboctahedra, and faces with twelve equivalent MoMo4Rh8 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.77 Å) Mo–Mo bond lengths. There are a spread of Mo–Rh bond distances ranging from 2.72–2.80 Å. Rh is bonded to eight equivalent Mo and four equivalent Rh atoms to form RhMo8Rh4 cuboctahedra that share corners with eight equivalent MoMo4Rh8 cuboctahedra, corners with ten equivalent RhMo8Rh4 cuboctahedra, edges with six equivalent RhMo8Rh4 cuboctahedra, edges with twelve equivalent MoMo4Rh8 cuboctahedra, faces with eight equivalent MoMo4Rh8 cuboctahedra, and faces with twelve equivalent RhMo8Rh4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.79 Å) Rh–Rh bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on PrGe3Rh by Materials Project

PrRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.46 Å) and four longer (3.54 Å) Pr–Rh bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.23–3.48 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are one shorter (2.41 Å) and four longer (2.46 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Pr, one Rh, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbRh2 by Materials Project

TbRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All Tb–Rh bond lengths are 3.14 Å. Rh is bonded to six equivalent Tb and six equivalent Rh atoms to form a mixture of edge, corner, and face-sharing RhTb6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.68 Å.

36 MATERIALS SCIENCE↗

Materials Data on CeGe3Rh by Materials Project

CeRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.37 Å) and four longer (3.54 Å) Ce–Rh bond lengths. There are eight shorter (3.22 Å) and four longer (3.47 Å) Ce–Ge bond lengths. Rh is bonded in a 5-coordinate geometry to five equivalent Ce and five Ge atoms. There are one shorter (2.40 Å) and four longer (2.44 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ce, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ce, one Rh, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaGe3Rh by Materials Project

LaRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.47 Å) and four longer (3.55 Å) La–Rh bond lengths. There are a spread of La–Ge bond distances ranging from 3.25–3.49 Å. Rh is bonded in a 5-coordinate geometry to five equivalent La and five Ge atoms. There are one shorter (2.43 Å) and four longer (2.47 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.76 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent La, one Rh, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗

Materials Data on SrRh2 by Materials Project

SrRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All Sr–Rh bond lengths are 3.23 Å. Rh is bonded to six equivalent Sr and six equivalent Rh atoms to form a mixture of corner, edge, and face-sharing RhSr6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗

Materials Data on Zn13Rh by Materials Project

RhZn13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rh is bonded to twelve Zn atoms to form corner-sharing RhZn12 cuboctahedra. There are a spread of Rh–Zn bond distances ranging from 2.58–2.69 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted linear geometry to two equivalent Rh and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.79 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.84 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.85 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Rh and ten Zn atoms. The Zn–Zn bond length is 2.59 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. The Zn–Zn bond length is 2.72 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyRh2 by Materials Project

DyRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All Dy–Rh bond lengths are 3.13 Å. Rh is bonded to six equivalent Dy and six equivalent Rh atoms to form a mixture of face, edge, and corner-sharing RhDy6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.67 Å.

36 MATERIALS SCIENCE↗

Materials Data on Rh3(PbS)2 by Materials Project

Rh3(PbS)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rh is bonded in a distorted linear geometry to four Pb and two equivalent S atoms. There are two shorter (2.89 Å) and two longer (2.91 Å) Rh–Pb bond lengths. Both Rh–S bond lengths are 2.34 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Rh and two equivalent S atoms to form corner-sharing PbRh6S2 hexagonal bipyramids. Both Pb–S bond lengths are 3.08 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Rh atoms. S is bonded in a 4-coordinate geometry to three equivalent Rh and one Pb atom.

36 MATERIALS SCIENCE↗

Materials Data on CrAsRh by Materials Project

CrRhAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 11-coordinate geometry to six equivalent Rh and five As atoms. There are two shorter (2.88 Å) and four longer (2.98 Å) Cr–Rh bond lengths. There are one shorter (2.65 Å) and four longer (2.72 Å) Cr–As bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Cr and four As atoms. There are two shorter (2.46 Å) and two longer (2.50 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to three equivalent Cr and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on TeRh by Materials Project

RhTe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to two equivalent Rh and six equivalent Te atoms to form a mixture of distorted edge, corner, and face-sharing RhTe6Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. Both Rh–Rh bond lengths are 2.86 Å. All Rh–Te bond lengths are 2.75 Å. Te is bonded in a 6-coordinate geometry to six equivalent Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaRh2 by Materials Project

LaRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All La–Rh bond lengths are 3.20 Å. Rh is bonded to six equivalent La and six equivalent Rh atoms to form a mixture of edge, face, and corner-sharing RhLa6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗