Strontium di­hydrogenphosphite

The crystal structure of strontium di­hydrogenphosphite, Sr(H₂PO₃)₂, contains eightfold-coordinated Sr ions connected by di­hydrogenphosphite anions so that a layer structure is formed.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](P-O) = 0.006 Å
• H-atom completeness 1%
• R factor = 0.068
• wR factor = 0.182
• Data-to-parameter ratio = 13.2

checkCIF results

No syntax errors found
GLOBAL _publ field problems




 Alert Level A:


PUBL_003  Alert A The contact author's name is missing,
           _publ_contact_author_name.

ADDSYM reports no extra symmetry


 Alert Level C:



DIFMN_02  Alert C The minimum difference density is < -0.1*ZMAX*0.75
          _refine_diff_density_min given =     -3.049
          Test value =     -2.850

DIFMN_03  Alert C The minimum difference density is < -0.1*ZMAX*0.75
          The relevant atom site should be identified.

General Notes



FORMU_01  There is a discrepancy between the atom counts in the
          _chemical_formula_sum and _chemical_formula_moiety. This is
          usually due to the moiety formula being in the wrong format.
          Atom count from _chemical_formula_sum:   H4 O6 P2 Sr1
          Atom count from _chemical_formula_moiety:H2 O3 P1 Sr1

FORMU_01  There is a discrepancy between the atom counts in the
          _chemical_formula_sum and the formula from the _atom_site* data.
          Atom count from _chemical_formula_sum:H4 O6 P2 Sr1
          Atom count from the _atom_site data:  O6 P2 Sr1

CELLZ_01
         From the CIF: _cell_formula_units_Z    2
         From the CIF: _chemical_formula_sum  H4 O6 P2 Sr
         TEST: Compare cell contents of formula and atom_site data

         atom    Z*formula  cif sites diff
         H          8.00      0.00    8.00
         O         12.00     12.00    0.00
         P          4.00      4.00    0.00
         Sr         2.00      2.00    0.00
          Difference between formula and atom_site contents detected.
          WARNING: H atoms missing from atom site list. Is this intentional?

CHEMW_03
         From the CIF: _cell_formula_units_Z                    2
         From the CIF: _chemical_formula_weight           249.59
         TEST: Calculate formula weight from _atom_site_*
         atom     mass    num     sum
         H         1.01    0.00    0.00
         O        16.00    6.00   95.99
         P        30.97    2.00   61.95
         Sr       87.62    1.00   87.62
         Calculated formula weight              245.56
          The ratio of given/expected molecular weight as calculated
          from the _atom_site* data lies outside
          the range 0.99 <> 1.01


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check

---

Computing details

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991).

;

Crystal data

Sr(H2PO3)2	Z = 2
Mr = 249.59	F(000) = 240
Triclinic, P1	Dx = 2.720 Mg m^−3
a = 5.797 (1) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.206 (1) Å	Cell parameters from 688 reflections
c = 8.068 (1) Å	θ = 3.6–28.2°
α = 97.87 (1)°	µ = 9.33 mm^−1
β = 104.51 (1)°	T = 293 K
γ = 106.55 (1)°	Block, colourless
V = 304.78 (8) Å^3	0.30 × 0.20 × 0.10 mm

Data collection

Stoe IPDS-II two-circle diffractometer	1079 independent reflections
Radiation source: fine-focus sealed tube	1045 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.000
ω scans	θmax = 25.0°, θmin = 2.7°
Absorption correction: empirical (using intensity measurements) (MULABS; Spek, 1990; Blessing, 1995)	h = −6→6
Tmin = 0.121, Tmax = 0.394	k = −8→8
1079 measured reflections	l = 0→9

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.068	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.182	H-atom parameters not defined
S = 1.09	w = 1/[σ^2(Fo^2) + (0.1484P)^2 + 0.2956P] where P = (Fo^2 + 2Fc^2)/3
1079 reflections	(Δ/σ)max < 0.001
82 parameters	Δρmax = 1.13 e Å^−3
0 restraints	Δρmin = −3.05 e Å^−3

Special details

Experimental. ;

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Sr1	0.33592 (11)	0.71364 (8)	0.54372 (7)	0.0188 (4)
P1	0.0494 (3)	0.2700 (3)	0.1686 (2)	0.0196 (5)
P2	0.6732 (3)	0.7585 (3)	0.2775 (2)	0.0197 (5)
O11	0.2053 (10)	0.1397 (7)	0.2166 (7)	0.0250 (11)
O12	0.0159 (10)	0.3956 (7)	0.3198 (7)	0.0275 (12)
O13	−0.2258 (11)	0.1353 (9)	0.0457 (7)	0.0346 (14)
O21	0.9745 (10)	0.8174 (9)	0.3197 (8)	0.0281 (13)
O22	0.5976 (9)	0.9242 (7)	0.3546 (7)	0.0251 (11)
O23	0.5786 (10)	0.5712 (7)	0.3411 (7)	0.0274 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sr1	0.0186 (6)	0.0181 (6)	0.0202 (5)	0.0075 (4)	0.0066 (3)	0.0019 (3)
P1	0.0202 (10)	0.0209 (10)	0.0171 (9)	0.0091 (7)	0.0039 (7)	0.0009 (8)
P2	0.0206 (10)	0.0199 (10)	0.0196 (10)	0.0082 (7)	0.0073 (7)	0.0020 (7)
O11	0.026 (3)	0.025 (3)	0.024 (2)	0.012 (2)	0.005 (2)	−0.001 (2)
O12	0.026 (3)	0.028 (3)	0.029 (3)	0.011 (2)	0.011 (2)	−0.002 (2)
O13	0.027 (3)	0.034 (3)	0.033 (3)	0.013 (2)	−0.002 (2)	−0.009 (2)
O21	0.017 (3)	0.035 (3)	0.033 (3)	0.010 (2)	0.008 (2)	0.005 (3)
O22	0.030 (3)	0.016 (2)	0.029 (2)	0.0056 (19)	0.012 (2)	0.001 (2)
O23	0.025 (3)	0.022 (2)	0.035 (3)	0.008 (2)	0.009 (2)	0.007 (2)

Geometric parameters (Å, º)

Sr1—O23^i	2.489 (5)	P1—O11	1.502 (5)
Sr1—O22^ii	2.513 (5)	P1—O13	1.591 (6)
Sr1—O12^iii	2.537 (5)	P1—Sr1^iii	3.614 (2)
Sr1—O12	2.593 (5)	P1—Sr1^i	3.6935 (19)
Sr1—O11^i	2.682 (5)	P2—O22	1.495 (5)
Sr1—O23	2.687 (5)	P2—O23	1.515 (5)
Sr1—O22	2.723 (5)	P2—O21	1.608 (5)
Sr1—O21^iv	2.753 (6)	O11—Sr1^i	2.682 (5)
Sr1—P2	3.2368 (19)	O12—Sr1^iii	2.537 (5)
Sr1—P1^iii	3.614 (2)	O21—Sr1^v	2.753 (6)
Sr1—P1^i	3.6935 (19)	O22—Sr1^ii	2.513 (5)
Sr1—P1	3.7345 (19)	O23—Sr1^i	2.489 (5)
P1—O12	1.504 (5)
O23^i—Sr1—O22^ii	140.71 (17)	O11^i—Sr1—P1^i	20.32 (11)
O23^i—Sr1—O12^iii	78.17 (17)	O23—Sr1—P1^i	71.88 (12)
O22^ii—Sr1—O12^iii	92.93 (16)	O22—Sr1—P1^i	87.29 (12)
O23^i—Sr1—O12	73.93 (17)	O21^iv—Sr1—P1^i	161.41 (13)
O22^ii—Sr1—O12	141.35 (17)	P2—Sr1—P1^i	78.72 (5)
O12^iii—Sr1—O12	76.01 (18)	P1^iii—Sr1—P1^i	104.98 (4)
O23^i—Sr1—O11^i	73.45 (16)	O23^i—Sr1—P1	72.95 (12)
O22^ii—Sr1—O11^i	75.10 (16)	O22^ii—Sr1—P1	146.28 (12)
O12^iii—Sr1—O11^i	112.57 (17)	O12^iii—Sr1—P1	93.58 (12)
O12—Sr1—O11^i	143.43 (16)	O12—Sr1—P1	18.11 (11)
O23^i—Sr1—O23	74.40 (18)	O11^i—Sr1—P1	131.39 (11)
O22^ii—Sr1—O23	124.68 (15)	O23—Sr1—P1	53.76 (11)
O12^iii—Sr1—O23	142.20 (16)	O22—Sr1—P1	91.00 (11)
O12—Sr1—O23	71.76 (15)	O21^iv—Sr1—P1	77.73 (13)
O11^i—Sr1—O23	83.90 (16)	P2—Sr1—P1	71.00 (4)
O23^i—Sr1—O22	125.07 (16)	P1^iii—Sr1—P1	113.28 (3)
O22^ii—Sr1—O22	71.17 (18)	P1^i—Sr1—P1	112.55 (3)
O12^iii—Sr1—O22	156.53 (17)	O12—P1—O11	115.9 (3)
O12—Sr1—O22	105.36 (16)	O12—P1—O13	106.9 (3)
O11^i—Sr1—O22	80.69 (16)	O11—P1—O13	109.3 (3)
O23—Sr1—O22	55.05 (14)	O12—P1—Sr1^iii	35.2 (2)
O23^i—Sr1—O21^iv	143.02 (17)	O11—P1—Sr1^iii	110.2 (2)
O22^ii—Sr1—O21^iv	70.55 (17)	O13—P1—Sr1^iii	77.1 (2)
O12^iii—Sr1—O21^iv	81.72 (17)	O12—P1—Sr1^i	89.5 (2)
O12—Sr1—O21^iv	71.24 (17)	O11—P1—Sr1^i	38.3 (2)
O11^i—Sr1—O21^iv	143.43 (17)	O13—P1—Sr1^i	146.9 (2)
O23—Sr1—O21^iv	105.52 (17)	Sr1^iii—P1—Sr1^i	104.98 (4)
O22—Sr1—O21^iv	76.79 (16)	O12—P1—Sr1	32.4 (2)
O23^i—Sr1—P2	100.21 (12)	O11—P1—Sr1	103.8 (2)
O22^ii—Sr1—P2	97.89 (12)	O13—P1—Sr1	137.5 (2)
O12^iii—Sr1—P2	164.08 (12)	Sr1^iii—P1—Sr1	66.72 (3)
O12—Sr1—P2	88.29 (12)	Sr1^i—P1—Sr1	67.45 (3)
O11^i—Sr1—P2	81.63 (12)	O22—P2—O23	112.3 (3)
O23—Sr1—P2	27.69 (11)	O22—P2—O21	112.4 (3)
O22—Sr1—P2	27.36 (10)	O23—P2—O21	108.2 (3)
O21^iv—Sr1—P2	90.89 (12)	O22—P2—Sr1	56.80 (19)
O23^i—Sr1—P1^iii	87.73 (12)	O23—P2—Sr1	55.5 (2)
O22^ii—Sr1—P1^iii	74.74 (11)	O21—P2—Sr1	129.4 (2)
O12^iii—Sr1—P1^iii	19.96 (11)	P1—O11—Sr1^i	121.4 (3)
O12—Sr1—P1^iii	95.45 (12)	P1—O12—Sr1^iii	124.9 (3)
O11^i—Sr1—P1^iii	99.35 (12)	P1—O12—Sr1	129.5 (3)
O23—Sr1—P1^iii	160.21 (11)	Sr1^iii—O12—Sr1	103.99 (18)
O22—Sr1—P1^iii	144.69 (11)	P2—O21—Sr1^v	133.3 (3)
O21^iv—Sr1—P1^iii	83.56 (12)	P2—O22—Sr1^ii	152.2 (3)
P2—Sr1—P1^iii	171.91 (5)	P2—O22—Sr1	95.8 (2)
O23^i—Sr1—P1^i	55.04 (12)	Sr1^ii—O22—Sr1	108.83 (17)
O22^ii—Sr1—P1^i	95.42 (12)	P2—O23—Sr1^i	148.8 (3)
O12^iii—Sr1—P1^i	111.94 (13)	P2—O23—Sr1	96.8 (2)
O12—Sr1—P1^i	123.15 (12)	Sr1^i—O23—Sr1	105.60 (18)
O23^i—Sr1—P1—O12	90.4 (4)	Sr1—P1—O11—Sr1^i	−18.8 (3)
O22^ii—Sr1—P1—O12	−86.8 (4)	O11—P1—O12—Sr1^iii	−88.7 (4)
O12^iii—Sr1—P1—O12	13.9 (5)	O13—P1—O12—Sr1^iii	33.3 (4)
O11^i—Sr1—P1—O12	138.5 (4)	Sr1^i—P1—O12—Sr1^iii	−117.5 (3)
O23—Sr1—P1—O12	173.2 (4)	Sr1—P1—O12—Sr1^iii	−163.0 (6)
O22—Sr1—P1—O12	−143.1 (4)	O11—P1—O12—Sr1	74.3 (5)
O21^iv—Sr1—P1—O12	−66.8 (4)	O13—P1—O12—Sr1	−163.7 (4)
P2—Sr1—P1—O12	−162.1 (4)	Sr1^iii—P1—O12—Sr1	163.0 (6)
P1^iii—Sr1—P1—O12	10.6 (4)	Sr1^i—P1—O12—Sr1	45.5 (3)
P1^i—Sr1—P1—O12	129.4 (4)	O23^i—Sr1—O12—P1	−84.2 (4)
O23^i—Sr1—P1—O11	−26.6 (2)	O22^ii—Sr1—O12—P1	117.4 (4)
O22^ii—Sr1—P1—O11	156.3 (3)	O12^iii—Sr1—O12—P1	−165.7 (5)
O12^iii—Sr1—P1—O11	−103.0 (3)	O11^i—Sr1—O12—P1	−56.5 (5)
O12—Sr1—P1—O11	−116.9 (5)	O23—Sr1—O12—P1	−5.7 (4)
O11^i—Sr1—P1—O11	21.6 (4)	O22—Sr1—O12—P1	38.5 (4)
O23—Sr1—P1—O11	56.3 (3)	O21^iv—Sr1—O12—P1	108.4 (4)
O22—Sr1—P1—O11	100.0 (3)	P2—Sr1—O12—P1	16.9 (4)
O21^iv—Sr1—P1—O11	176.3 (2)	P1^iii—Sr1—O12—P1	−170.3 (4)
P2—Sr1—P1—O11	81.0 (2)	P1^i—Sr1—O12—P1	−58.4 (4)
P1^iii—Sr1—P1—O11	−106.4 (2)	O23^i—Sr1—O12—Sr1^iii	81.5 (2)
P1^i—Sr1—P1—O11	12.5 (2)	O22^ii—Sr1—O12—Sr1^iii	−76.9 (3)
O23^i—Sr1—P1—O13	113.8 (4)	O12^iii—Sr1—O12—Sr1^iii	0.0
O22^ii—Sr1—P1—O13	−63.4 (4)	O11^i—Sr1—O12—Sr1^iii	109.1 (3)
O12^iii—Sr1—P1—O13	37.3 (4)	O23—Sr1—O12—Sr1^iii	160.0 (2)
O12—Sr1—P1—O13	23.4 (5)	O22—Sr1—O12—Sr1^iii	−155.77 (18)
O11^i—Sr1—P1—O13	161.9 (4)	O21^iv—Sr1—O12—Sr1^iii	−85.9 (2)
O23—Sr1—P1—O13	−163.3 (4)	P2—Sr1—O12—Sr1^iii	−177.38 (16)
O22—Sr1—P1—O13	−119.6 (4)	P1^iii—Sr1—O12—Sr1^iii	−4.57 (17)
O21^iv—Sr1—P1—O13	−43.4 (4)	P1^i—Sr1—O12—Sr1^iii	107.29 (15)
P2—Sr1—P1—O13	−138.7 (4)	P1—Sr1—O12—Sr1^iii	165.7 (5)
P1^iii—Sr1—P1—O13	34.0 (4)	O22—P2—O21—Sr1^v	106.3 (4)
P1^i—Sr1—P1—O13	152.9 (4)	O23—P2—O21—Sr1^v	−18.3 (5)
O23^i—Sr1—P1—Sr1^iii	79.81 (12)	Sr1—P2—O21—Sr1^v	41.6 (5)
O22^ii—Sr1—P1—Sr1^iii	−97.4 (2)	O23—P2—O22—Sr1^ii	151.9 (6)
O12^iii—Sr1—P1—Sr1^iii	3.34 (12)	O21—P2—O22—Sr1^ii	29.5 (8)
O12—Sr1—P1—Sr1^iii	−10.6 (4)	Sr1—P2—O22—Sr1^ii	153.0 (8)
O11^i—Sr1—P1—Sr1^iii	127.94 (16)	O23—P2—O22—Sr1	−1.1 (3)
O23—Sr1—P1—Sr1^iii	162.69 (14)	O21—P2—O22—Sr1	−123.5 (3)
O22—Sr1—P1—Sr1^iii	−153.63 (11)	O23^i—Sr1—O22—P2	27.7 (3)
O21^iv—Sr1—P1—Sr1^iii	−77.38 (12)	O22^ii—Sr1—O22—P2	167.1 (4)
P2—Sr1—P1—Sr1^iii	−172.64 (5)	O12^iii—Sr1—O22—P2	−143.4 (3)
P1^iii—Sr1—P1—Sr1^iii	0.0	O12—Sr1—O22—P2	−53.2 (3)
P1^i—Sr1—P1—Sr1^iii	118.89 (4)	O11^i—Sr1—O22—P2	89.8 (3)
O23^i—Sr1—P1—Sr1^i	−39.08 (12)	O23—Sr1—O22—P2	0.7 (2)
O22^ii—Sr1—P1—Sr1^i	143.7 (2)	O21^iv—Sr1—O22—P2	−119.2 (3)
O12^iii—Sr1—P1—Sr1^i	−115.55 (12)	P1^iii—Sr1—O22—P2	−177.18 (10)
O12—Sr1—P1—Sr1^i	−129.4 (4)	P1^i—Sr1—O22—P2	70.4 (2)
O11^i—Sr1—P1—Sr1^i	9.05 (16)	P1—Sr1—O22—P2	−42.1 (2)
O23—Sr1—P1—Sr1^i	43.80 (14)	O23^i—Sr1—O22—Sr1^ii	−139.44 (19)
O22—Sr1—P1—Sr1^i	87.48 (11)	O22^ii—Sr1—O22—Sr1^ii	0.0
O21^iv—Sr1—P1—Sr1^i	163.73 (12)	O12^iii—Sr1—O22—Sr1^ii	49.5 (5)
P2—Sr1—P1—Sr1^i	68.47 (5)	O12—Sr1—O22—Sr1^ii	139.64 (19)
P1^iii—Sr1—P1—Sr1^i	−118.89 (4)	O11^i—Sr1—O22—Sr1^ii	−77.33 (19)
P1^i—Sr1—P1—Sr1^i	0.0	O23—Sr1—O22—Sr1^ii	−166.4 (3)
O23^i—Sr1—P2—O22	−157.3 (3)	O21^iv—Sr1—O22—Sr1^ii	73.7 (2)
O22^ii—Sr1—P2—O22	−12.3 (4)	P2—Sr1—O22—Sr1^ii	−167.1 (4)
O12^iii—Sr1—P2—O22	120.1 (5)	P1^iii—Sr1—O22—Sr1^ii	15.7 (3)
O12—Sr1—P2—O22	129.4 (3)	P1^i—Sr1—O22—Sr1^ii	−96.67 (17)
O11^i—Sr1—P2—O22	−85.9 (3)	P1—Sr1—O22—Sr1^ii	150.81 (16)
O23—Sr1—P2—O22	−178.7 (4)	O22—P2—O23—Sr1^i	−134.8 (5)
O21^iv—Sr1—P2—O22	58.2 (3)	O21—P2—O23—Sr1^i	−10.2 (7)
P1^i—Sr1—P2—O22	−106.3 (3)	Sr1—P2—O23—Sr1^i	−136.0 (7)
P1—Sr1—P2—O22	134.9 (3)	O22—P2—O23—Sr1	1.2 (3)
O23^i—Sr1—P2—O23	21.4 (4)	O21—P2—O23—Sr1	125.8 (3)
O22^ii—Sr1—P2—O23	166.4 (3)	O23^i—Sr1—O23—P2	−158.1 (4)
O12^iii—Sr1—P2—O23	−61.2 (5)	O22^ii—Sr1—O23—P2	−16.5 (3)
O12—Sr1—P2—O23	−51.9 (3)	O12^iii—Sr1—O23—P2	156.9 (2)
O11^i—Sr1—P2—O23	92.8 (3)	O12—Sr1—O23—P2	124.1 (3)
O22—Sr1—P2—O23	178.7 (4)	O11^i—Sr1—O23—P2	−83.6 (2)
O21^iv—Sr1—P2—O23	−123.1 (3)	O22—Sr1—O23—P2	−0.7 (2)
P1^i—Sr1—P2—O23	72.4 (2)	O21^iv—Sr1—O23—P2	60.4 (3)
P1—Sr1—P2—O23	−46.4 (2)	P1^iii—Sr1—O23—P2	175.70 (15)
O23^i—Sr1—P2—O21	−64.4 (3)	P1^i—Sr1—O23—P2	−100.4 (2)
O22^ii—Sr1—P2—O21	80.6 (3)	P1—Sr1—O23—P2	121.9 (3)
O12^iii—Sr1—P2—O21	−147.0 (5)	O23^i—Sr1—O23—Sr1^i	0.0
O12—Sr1—P2—O21	−137.7 (3)	O22^ii—Sr1—O23—Sr1^i	141.63 (18)
O11^i—Sr1—P2—O21	7.0 (3)	O12^iii—Sr1—O23—Sr1^i	−45.0 (3)
O23—Sr1—P2—O21	−85.8 (4)	O12—Sr1—O23—Sr1^i	−77.85 (19)
O22—Sr1—P2—O21	92.9 (4)	O11^i—Sr1—O23—Sr1^i	74.48 (19)
O21^iv—Sr1—P2—O21	151.1 (4)	O22—Sr1—O23—Sr1^i	157.4 (3)
P1^i—Sr1—P2—O21	−13.4 (3)	O21^iv—Sr1—O23—Sr1^i	−141.56 (18)
P1—Sr1—P2—O21	−132.2 (3)	P2—Sr1—O23—Sr1^i	158.1 (4)
O12—P1—O11—Sr1^i	−50.9 (4)	P1^iii—Sr1—O23—Sr1^i	−26.2 (5)
O13—P1—O11—Sr1^i	−171.7 (3)	P1^i—Sr1—O23—Sr1^i	57.68 (14)
Sr1^iii—P1—O11—Sr1^i	−88.8 (3)	P1—Sr1—O23—Sr1^i	−80.05 (15)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+2, −z+1; (iii) −x, −y+1, −z+1; (iv) x−1, y, z; (v) x+1, y, z.