Reported standard-state volumes and isothermal elastic properties. Linear compressibilities are often reported as |$K_{a^3} = (\partial (\ln (a^3)) / \partial P)^{-1} = (3 \partial (\ln (a)) / \partial P)^{-1} = 1 / (3 \beta _a)$|, or as |$(\partial (a/a_0) / \partial P) = \beta _a (a/a_0)$|. |$K_{\text{TR}}$| (from betas) |$= 1/(\beta _a + \beta _b + \beta _c)$|. Compressibility values with |$^{+}$| were calculated for the current study by fitting |$a^3$| and |$c^3$| to a Birch–Murnaghan equation of state; other values are taken directly from the literature.
| Publication . | V (Å|$^3$|) . | |$K_{\text{T}}$| (GPa) . | |$K_{\text{T}}^{\prime }$| . | |$\beta _{\text{T}a}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}/\beta _{\text{T}a}$| . | |$K_{\text{T}}$| (from betas) . |
|---|---|---|---|---|---|---|---|
| Olinger (1976) | 46.608(10) | 288(13) | 6(1) | 1.31(11) | 0.57(22) | 0.44(17) | 313 |
| Sato (1977) | – | 298(5) | 0.7(1.1) | 1.28 | 0.73 | 0.57 | 304 |
| Sugiyama et al. (1987) | 46.591(1) | 313(4) | 6(fixed) | 1.22(2) | 0.64(3) | 0.52(3) | 325 |
| Ross et al. (1990) | 46.615(16) | 313(4) | 1.7(6) | 1.19 | 0.69 | 0.58 | 326 |
| Li et al. (1996) | 46.54 | 302(5) | 5.3(1) | – | – | – | – |
| Liu et al. (1999) | 46.547(12) | 295(12) | 5(4) | 1.24(4) | 0.65(4) | 0.52(5) | 319 |
| Andrault et al. (1998) | 46.63 | 291(1) | 4.3(1) | – | – | – | – |
| Yamanaka et al. (2002) | 46.61 | 292(13) | 6|$^{*}$| | 1.2820 | 0.4878 | 0.38 | 328 |
| Andrault et al. (2003) | 46.5126(61) | 309.9(11) | 4.59(23) | 1.30(10)|$^{+}$| | 0.60(5)|$^{+}$| | 0.46(7)|$^{+}$| | 314(18)|$^{+}$| |
| Nishihara et al. (2005) | 46.56(1) | 296(5) | 4.2(4) | 1.37(6)|$^{+}$| | 0.74(9)|$^{+}$| | 0.54(9)|$^{+}$| | 355(23)|$^{+}$| |
| Jiang et al. (2009) | – | 299(1) | 4.4(2) | 1.3 | 0.64 | 0.49 | 309 |
| Wang et al. (2012) | 46.55|$^{*}$| | 292(2) | 5.01(12) | 1.5(7)|$^{+}$| | 0.8(6)|$^{+}$| | 0.5(6)|$^{+}$| | 400(180)|$^{+}$| |
| Grocholski et al. (2013) | 46.63(3) | 317(3) | 4|$^{*}$| | – | – | – | – |
| Nisr et al. (2017) | 46.569(11) | 312(2) | 4.59|$^{*}$| | – | – | – | – |
| Buchen et al. (2018) | 46.43(10) | 344(25) | 6.0(11) | 1.15(6) | 0.682(7) | 0.59(4) | 335 |
| Fischer et al. (2018) | 4.655(fixed) | 302(fixed) | 5.24(9) | 1.24(6) | 0.77(5) | 0.62(0.02) | 308(4) |
| Zhang et al. (2021) | 46.57(3) | 317.2(26) | 4.8(2) | 1.22(7)|$^{+}$| | 0.63(4)|$^{+}$| | 0.52(6)|$^{+}$| | 310(13)|$^{+}$| |
| Zhang et al. (2023) | 46.6(2) | 301.2(18) | 4.1(2) | 1.13(13)|$^{+}$| | 0.64(12)|$^{+}$| | 0.56(17)|$^{+}$| | 299(32)|$^{+}$| |
| Publication . | V (Å|$^3$|) . | |$K_{\text{T}}$| (GPa) . | |$K_{\text{T}}^{\prime }$| . | |$\beta _{\text{T}a}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}/\beta _{\text{T}a}$| . | |$K_{\text{T}}$| (from betas) . |
|---|---|---|---|---|---|---|---|
| Olinger (1976) | 46.608(10) | 288(13) | 6(1) | 1.31(11) | 0.57(22) | 0.44(17) | 313 |
| Sato (1977) | – | 298(5) | 0.7(1.1) | 1.28 | 0.73 | 0.57 | 304 |
| Sugiyama et al. (1987) | 46.591(1) | 313(4) | 6(fixed) | 1.22(2) | 0.64(3) | 0.52(3) | 325 |
| Ross et al. (1990) | 46.615(16) | 313(4) | 1.7(6) | 1.19 | 0.69 | 0.58 | 326 |
| Li et al. (1996) | 46.54 | 302(5) | 5.3(1) | – | – | – | – |
| Liu et al. (1999) | 46.547(12) | 295(12) | 5(4) | 1.24(4) | 0.65(4) | 0.52(5) | 319 |
| Andrault et al. (1998) | 46.63 | 291(1) | 4.3(1) | – | – | – | – |
| Yamanaka et al. (2002) | 46.61 | 292(13) | 6|$^{*}$| | 1.2820 | 0.4878 | 0.38 | 328 |
| Andrault et al. (2003) | 46.5126(61) | 309.9(11) | 4.59(23) | 1.30(10)|$^{+}$| | 0.60(5)|$^{+}$| | 0.46(7)|$^{+}$| | 314(18)|$^{+}$| |
| Nishihara et al. (2005) | 46.56(1) | 296(5) | 4.2(4) | 1.37(6)|$^{+}$| | 0.74(9)|$^{+}$| | 0.54(9)|$^{+}$| | 355(23)|$^{+}$| |
| Jiang et al. (2009) | – | 299(1) | 4.4(2) | 1.3 | 0.64 | 0.49 | 309 |
| Wang et al. (2012) | 46.55|$^{*}$| | 292(2) | 5.01(12) | 1.5(7)|$^{+}$| | 0.8(6)|$^{+}$| | 0.5(6)|$^{+}$| | 400(180)|$^{+}$| |
| Grocholski et al. (2013) | 46.63(3) | 317(3) | 4|$^{*}$| | – | – | – | – |
| Nisr et al. (2017) | 46.569(11) | 312(2) | 4.59|$^{*}$| | – | – | – | – |
| Buchen et al. (2018) | 46.43(10) | 344(25) | 6.0(11) | 1.15(6) | 0.682(7) | 0.59(4) | 335 |
| Fischer et al. (2018) | 4.655(fixed) | 302(fixed) | 5.24(9) | 1.24(6) | 0.77(5) | 0.62(0.02) | 308(4) |
| Zhang et al. (2021) | 46.57(3) | 317.2(26) | 4.8(2) | 1.22(7)|$^{+}$| | 0.63(4)|$^{+}$| | 0.52(6)|$^{+}$| | 310(13)|$^{+}$| |
| Zhang et al. (2023) | 46.6(2) | 301.2(18) | 4.1(2) | 1.13(13)|$^{+}$| | 0.64(12)|$^{+}$| | 0.56(17)|$^{+}$| | 299(32)|$^{+}$| |
Reported standard-state volumes and isothermal elastic properties. Linear compressibilities are often reported as |$K_{a^3} = (\partial (\ln (a^3)) / \partial P)^{-1} = (3 \partial (\ln (a)) / \partial P)^{-1} = 1 / (3 \beta _a)$|, or as |$(\partial (a/a_0) / \partial P) = \beta _a (a/a_0)$|. |$K_{\text{TR}}$| (from betas) |$= 1/(\beta _a + \beta _b + \beta _c)$|. Compressibility values with |$^{+}$| were calculated for the current study by fitting |$a^3$| and |$c^3$| to a Birch–Murnaghan equation of state; other values are taken directly from the literature.
| Publication . | V (Å|$^3$|) . | |$K_{\text{T}}$| (GPa) . | |$K_{\text{T}}^{\prime }$| . | |$\beta _{\text{T}a}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}/\beta _{\text{T}a}$| . | |$K_{\text{T}}$| (from betas) . |
|---|---|---|---|---|---|---|---|
| Olinger (1976) | 46.608(10) | 288(13) | 6(1) | 1.31(11) | 0.57(22) | 0.44(17) | 313 |
| Sato (1977) | – | 298(5) | 0.7(1.1) | 1.28 | 0.73 | 0.57 | 304 |
| Sugiyama et al. (1987) | 46.591(1) | 313(4) | 6(fixed) | 1.22(2) | 0.64(3) | 0.52(3) | 325 |
| Ross et al. (1990) | 46.615(16) | 313(4) | 1.7(6) | 1.19 | 0.69 | 0.58 | 326 |
| Li et al. (1996) | 46.54 | 302(5) | 5.3(1) | – | – | – | – |
| Liu et al. (1999) | 46.547(12) | 295(12) | 5(4) | 1.24(4) | 0.65(4) | 0.52(5) | 319 |
| Andrault et al. (1998) | 46.63 | 291(1) | 4.3(1) | – | – | – | – |
| Yamanaka et al. (2002) | 46.61 | 292(13) | 6|$^{*}$| | 1.2820 | 0.4878 | 0.38 | 328 |
| Andrault et al. (2003) | 46.5126(61) | 309.9(11) | 4.59(23) | 1.30(10)|$^{+}$| | 0.60(5)|$^{+}$| | 0.46(7)|$^{+}$| | 314(18)|$^{+}$| |
| Nishihara et al. (2005) | 46.56(1) | 296(5) | 4.2(4) | 1.37(6)|$^{+}$| | 0.74(9)|$^{+}$| | 0.54(9)|$^{+}$| | 355(23)|$^{+}$| |
| Jiang et al. (2009) | – | 299(1) | 4.4(2) | 1.3 | 0.64 | 0.49 | 309 |
| Wang et al. (2012) | 46.55|$^{*}$| | 292(2) | 5.01(12) | 1.5(7)|$^{+}$| | 0.8(6)|$^{+}$| | 0.5(6)|$^{+}$| | 400(180)|$^{+}$| |
| Grocholski et al. (2013) | 46.63(3) | 317(3) | 4|$^{*}$| | – | – | – | – |
| Nisr et al. (2017) | 46.569(11) | 312(2) | 4.59|$^{*}$| | – | – | – | – |
| Buchen et al. (2018) | 46.43(10) | 344(25) | 6.0(11) | 1.15(6) | 0.682(7) | 0.59(4) | 335 |
| Fischer et al. (2018) | 4.655(fixed) | 302(fixed) | 5.24(9) | 1.24(6) | 0.77(5) | 0.62(0.02) | 308(4) |
| Zhang et al. (2021) | 46.57(3) | 317.2(26) | 4.8(2) | 1.22(7)|$^{+}$| | 0.63(4)|$^{+}$| | 0.52(6)|$^{+}$| | 310(13)|$^{+}$| |
| Zhang et al. (2023) | 46.6(2) | 301.2(18) | 4.1(2) | 1.13(13)|$^{+}$| | 0.64(12)|$^{+}$| | 0.56(17)|$^{+}$| | 299(32)|$^{+}$| |
| Publication . | V (Å|$^3$|) . | |$K_{\text{T}}$| (GPa) . | |$K_{\text{T}}^{\prime }$| . | |$\beta _{\text{T}a}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}$| (TPa|$^{-1}$|) . | |$\beta _{\text{T}c}/\beta _{\text{T}a}$| . | |$K_{\text{T}}$| (from betas) . |
|---|---|---|---|---|---|---|---|
| Olinger (1976) | 46.608(10) | 288(13) | 6(1) | 1.31(11) | 0.57(22) | 0.44(17) | 313 |
| Sato (1977) | – | 298(5) | 0.7(1.1) | 1.28 | 0.73 | 0.57 | 304 |
| Sugiyama et al. (1987) | 46.591(1) | 313(4) | 6(fixed) | 1.22(2) | 0.64(3) | 0.52(3) | 325 |
| Ross et al. (1990) | 46.615(16) | 313(4) | 1.7(6) | 1.19 | 0.69 | 0.58 | 326 |
| Li et al. (1996) | 46.54 | 302(5) | 5.3(1) | – | – | – | – |
| Liu et al. (1999) | 46.547(12) | 295(12) | 5(4) | 1.24(4) | 0.65(4) | 0.52(5) | 319 |
| Andrault et al. (1998) | 46.63 | 291(1) | 4.3(1) | – | – | – | – |
| Yamanaka et al. (2002) | 46.61 | 292(13) | 6|$^{*}$| | 1.2820 | 0.4878 | 0.38 | 328 |
| Andrault et al. (2003) | 46.5126(61) | 309.9(11) | 4.59(23) | 1.30(10)|$^{+}$| | 0.60(5)|$^{+}$| | 0.46(7)|$^{+}$| | 314(18)|$^{+}$| |
| Nishihara et al. (2005) | 46.56(1) | 296(5) | 4.2(4) | 1.37(6)|$^{+}$| | 0.74(9)|$^{+}$| | 0.54(9)|$^{+}$| | 355(23)|$^{+}$| |
| Jiang et al. (2009) | – | 299(1) | 4.4(2) | 1.3 | 0.64 | 0.49 | 309 |
| Wang et al. (2012) | 46.55|$^{*}$| | 292(2) | 5.01(12) | 1.5(7)|$^{+}$| | 0.8(6)|$^{+}$| | 0.5(6)|$^{+}$| | 400(180)|$^{+}$| |
| Grocholski et al. (2013) | 46.63(3) | 317(3) | 4|$^{*}$| | – | – | – | – |
| Nisr et al. (2017) | 46.569(11) | 312(2) | 4.59|$^{*}$| | – | – | – | – |
| Buchen et al. (2018) | 46.43(10) | 344(25) | 6.0(11) | 1.15(6) | 0.682(7) | 0.59(4) | 335 |
| Fischer et al. (2018) | 4.655(fixed) | 302(fixed) | 5.24(9) | 1.24(6) | 0.77(5) | 0.62(0.02) | 308(4) |
| Zhang et al. (2021) | 46.57(3) | 317.2(26) | 4.8(2) | 1.22(7)|$^{+}$| | 0.63(4)|$^{+}$| | 0.52(6)|$^{+}$| | 310(13)|$^{+}$| |
| Zhang et al. (2023) | 46.6(2) | 301.2(18) | 4.1(2) | 1.13(13)|$^{+}$| | 0.64(12)|$^{+}$| | 0.56(17)|$^{+}$| | 299(32)|$^{+}$| |
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